SCHEMBL1500290

SCHEMBL1500290

Cc1cnnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HSD11B1 P28845 8/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14788450 0.79 TSHR (0.59) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL3760260 0.79 TSHR (0.59) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL25078296 0.79 TSHR (0.46) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL30949274 0.79 TSHR (0.46) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL31245629 0.77 SMN1; SMN2 (0.49) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL28236734 0.76 TSHR (0.56) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL23329191 0.76 TSHR (0.56) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL23328981 0.76 TSHR (0.56) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9910775 0.75 HSD11B1 (0.47) TSHRALDH1A1HSD11B1SMN1; SMN2PTGS1
SCHEMBL24469923 0.75 TSHR (0.58) TSHRMEN1KMT2ACYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
WO-2022270980-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2022-12-29 WO disclosed
US-11377425-B1 Small molecule modulators of IL-17 LEO PHARMA A/S (DK) 2022-07-05 US disclosed
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-03 US disclosed
US-20200123160-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2020-04-23 US disclosed
EP-3632919-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION Bristol-Myers Squibb Company (US) 2020-04-08 EP disclosed
US-10428077-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-01 US disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10428077-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation F2RL3, TMPRSS4, F2R TSHR 147/4885MEN1 3023/4885KMT2A 4125/4885
US-20200123160-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, TMPRSS4, F2R TSHR 147/4885MEN1 3023/4885KMT2A 4125/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX TSHR 678/4885MEN1 1860/4885KMT2A 4730/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 TSHR 1713/4885MEN1 4649/4885KMT2A 4006/4885
US-11377425-B1 Small molecule modulators of IL-17 IL17A, IL15, IL2 TSHR 4390/4885MEN1 2191/4885KMT2A 3095/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 TSHR 2845/4885MEN1 1510/4885KMT2A 3374/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 TSHR 3857/4885MEN1 122/4885KMT2A 1200/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 TSHR 3974/4885MEN1 863/4885KMT2A 4661/4885
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 TSHR 128/4885MEN1 3037/4885KMT2A 4056/4885
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK TSHR 1041/4885MEN1 329/4885KMT2A 611/4885
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation F2RL3, TMPRSS4, F2R TSHR 147/4885MEN1 3023/4885KMT2A 4125/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.