SCHEMBL5077255

SCHEMBL5077255

O=c1[nH]c2c(Cl)cccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.61
GRM5 P41594 7/20 0.50
MCL1 Q07820 1/20 0.49
OGT O15294 1/20 0.48
KMO O15229 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
TSHR P16473 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DAO P14920 2/20 0.41
GRIA1 P42261 1/20 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
SCHEMBL30146353 1.00 PSMB8 (0.61) PSMB8GRM5MCL1OGTKMO
SCHEMBL22981043 0.84 PSMB8 (0.46) PSMB8GRM5MCL1OGTKMO
SCHEMBL1904323 0.77 F2 (0.52) PSMB8MCL1CA12CA9LMNA
SCHEMBL5540274 0.76 MCL1 (0.49) GRM5MCL1OGTEPHX2NOS1
SCHEMBL31686101 0.76 MCL1 (0.49) GRM5MCL1OGTEPHX2
SCHEMBL2484702 0.76 MCL1 (0.49) GRM5MCL1OGTEPHX2
SCHEMBL1285749 0.76 EPHX2 (0.50) GRM5MCL1OGTEPHX2NOS3
SCHEMBL1137634 0.76 PSMB8 (0.61) PSMB8GRM5MCL1OGTEPHX2
SCHEMBL3043379 0.76 MCL1 (0.49) GRM5MCL1OGTCA12CA9
SCHEMBL3306201 0.76 MCL1 (0.49) PSMB8GRM5MCL1OGTKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
CN-106866801-A Tuberculosis RV2386C albumen, composition and application thereof 葛兰素史密丝克莱恩生物有限公司 2017-06-20 CN disclosed
CN-102165064-B Tuberculosis RV2386C protein, composition and application thereof 葛兰素史密丝克莱恩生物有限公司 2017-06-20 CN disclosed
CN-105018506-A Hydrolase of benzoxazolone compound, gene for coding hydrolase and engineering strain containing gene and application thereof UNIV NANJING AGRICULTURAL 2015-11-04 CN disclosed
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
EP-1263427-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-12-11 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2001068084-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-20 WO disclosed
EP-1085820-A1 SOY HYDROLYSATE AND USE IN INSECT CONTROL Tuzun, Sadik (US) 2001-03-28 EP disclosed
WO-1999063840-A1 SOY HYDROLYSATE AND USE IN INSECT CONTROL TUZUN SADIK (US) 1999-12-16 WO disclosed
US-4716204-A ADDUCTS OF BENZO-N-HETEROCYCLES THE DOW CHEMICAL COMPANY (US) 1987-12-29 US disclosed
US-4631331-A BENZO-N-HETEROCYCLES THE DOW CHEMICAL COMPANY (US) 1986-12-23 US disclosed
EP-0014263-A2 Method of improving the solubility of biologically active agents in water and in lower aliphatic alcohols, and compounds having an improved solubility BAYER AG (DE) 1980-08-20 EP 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-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 PSMB8 1657/4885GRM5 1734/4885MCL1 184/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER PSMB8 3972/4885GRM5 3736/4885MCL1 240/4885

“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.