SCHEMBL227131

SCHEMBL227131

O=CNc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
LMNA P02545 4/20 0.41
PKM P14618 1/20 0.41
PABPC1 P11940 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5364626 0.83 PABPC1 (0.44) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL27978481 0.82 CYP1A2 (0.43) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL448938 0.82 MEN1 (0.50) TSHRALDH1A1HPGDMAPK1MEN1
SCHEMBL30527294 0.82 ALDH1A1 (0.57) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL8763290 0.82 ALDH1A1 (0.57) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL14625516 0.79 KDM5A (0.41) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL2099073 0.79 MAPT (0.51) ALDH1A1HPGDCYP1A2CYP2C19MAPK1
SCHEMBL9493414 0.78 TSHR (0.64) TSHRALDH1A1HPGDMAPK1MEN1
SCHEMBL6671728 0.77 CYP1A2 (0.41) TSHRALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL27815043 0.77 ALDH1A1 (0.38) TSHRALDH1A1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344283-A Trifluoromethyl unit-containing substituted 2-piperidone compound and synthesis method thereof 西南交通大学 2024-07-16 CN claimed
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US claimed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP claimed
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 EP claimed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US claimed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP claimed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
US-4892858-A Heat sensitive transfer materials FUJI PHOTO FILM CO., LTD. (JP) 1990-01-09 US claimed
CN-118344283-A Trifluoromethyl unit-containing substituted 2-piperidone compound and synthesis method thereof 西南交通大学 2024-07-16 CN disclosed
CN-118027070-A Triazolopyridine bromodomain protein 4 small molecule inhibitor and preparation method and application thereof 中国药科大学 2024-05-14 CN disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed
US-4187248-A FORMANILIDE MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-3998954-A 1,3(2H,4H)-Dioxoisoquinoline-4-carboxamides used as anti-inflammatory agents PFIZER INC. (US) 1976-12-21 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 (2 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK TSHR 3094/4885ALDH1A1 2121/4885HPGD 1970/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B TSHR 141/4885ALDH1A1 1538/4885HPGD 2376/4885

“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.