SCHEMBL1363543

SCHEMBL1363543

COc1ccc(Cl)c(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.55
P2RX7 Q99572 4/20 0.51
POLB P06746 2/20 0.49
KMT2A Q03164 3/20 0.49
P2RY12 Q9H244 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4261329 0.85 SMN1; SMN2 (0.59) TYK2POLBKMT2AMAPTERCC5
SCHEMBL696853 0.85 ALDH1A1 (0.59) TYK2P2RX7POLBKMT2AP2RY12
SCHEMBL3142619 0.85 TYK2 (0.55) TYK2POLBKMT2AMAPTHTT
SCHEMBL11197823 0.84 NPC1 (0.55) POLBMAPTHTTNPSR1RAB9A
SCHEMBL2850887 0.83 CASP1 (0.55) TYK2P2RX7POLBKMT2AP2RY12
Hydrochloric Acid SCHEMBL18861007 0.83 SMN1; SMN2 (0.57) TYK2POLBKMT2AMAPTERCC5
SCHEMBL1180024 0.83 KDM4E (0.60) TYK2P2RX7POLBKMT2AP2RY12
SCHEMBL2318688 0.81 TYK2 (0.52) TYK2P2RX7POLBKMT2AP2RY12
SCHEMBL4954916 0.81 NPC1 (0.56) KMT2AMAPTHTTNPSR1RAB9A
SCHEMBL24001 0.81 MAPT (0.66) POLBKMT2AMAPTHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 EP disclosed
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 US disclosed
US-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 US disclosed
EP-2615092-B1 HETEROCYCLIC AMINO BERBAMINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2015-08-26 EP disclosed
EP-2615092-B1 HETEROCYCLIC AMINO BERBAMINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2015-08-26 EP disclosed
US-8987288-B2 Heterocyclic aminoberbamine derivatives, the preparation process and use thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-03-24 US disclosed
US-8987288-B2 Heterocyclic aminoberbamine derivatives, the preparation process and use thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2015-03-24 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
EP-1696920-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2006-09-06 EP disclosed
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
EP-1565475-A1 DIAZINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-24 EP disclosed
WO-2005062795-A2 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON, INC. (US) 2005-07-14 WO disclosed
WO-2004046152-A1 DIAZINOPYRIMIDINES F. HOFFMANN LA ROCHE AG (CH) 2004-06-03 WO disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 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 (5 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-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 TYK2 304/4885P2RX7 297/4885POLB 3111/4885
US-20160207893-A1 NOVEL CALCIUM MODULATORS CACNA1E, CASR, CACNA1D TYK2 4060/4885P2RX7 1024/4885POLB 4862/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL TYK2 4631/4885P2RX7 4582/4885POLB 2001/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 TYK2 378/4885P2RX7 1170/4885POLB 3135/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 TYK2 1668/4885P2RX7 3194/4885POLB 4600/4885

“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.