SCHEMBL84373

SCHEMBL84373

CC(C)c1ccncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
CDC25B P30305 1/20 0.38
GCGR P47871 1/20 0.37
ALOX5 P09917 1/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4408576 0.84 GAA (0.45) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL2108667 0.84 GAA (0.45) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL5700259 0.84 GAA (0.43) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL31651702 0.84 GAA (0.43) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL2111078 0.83 GAA (0.43) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL2495086 0.83 GAA (0.43) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL14121041 0.83 LMNA (0.48) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL27961321 0.83 GAA (0.43) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL13028991 0.83 LMNA (0.48) GAARPS6KA3CYP3A4CYP2D6SLC6A2
SCHEMBL26917035 0.83 LMNA (0.48) GAARPS6KA3CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. 2025-01-16 US disclosed
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
US-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 US disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070142360-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-06-21 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032500-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
US-7157462-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-01-02 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (9 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 GAA 3051/4885RPS6KA3 2658/4885CYP3A4 1167/4885
US-20070142360-A1 Therapeutic agents useful for treating pain OPRL1, OPRK1, ARRB1 GAA 4849/4885RPS6KA3 314/4885CYP3A4 3072/4885
US-20250017914-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES TOP2A, TOP2B, UGT2B7 GAA 331/4885RPS6KA3 517/4885CYP3A4 89/4885
US-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR ATR, CHEK1, CHEK2 GAA 596/4885RPS6KA3 330/4885CYP3A4 3828/4885
US-20070032500-A1 Therapeutic agents useful for treating pain TRPV1, OPRL1, CNR2 GAA 4759/4885RPS6KA3 853/4885CYP3A4 2316/4885
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN7 GAA 4142/4885RPS6KA3 1362/4885CYP3A4 4283/4885
US-20230399299-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 GAA 114/4885RPS6KA3 3370/4885CYP3A4 513/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GAA 3002/4885RPS6KA3 544/4885CYP3A4 3714/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 GAA 1455/4885RPS6KA3 236/4885CYP3A4 4339/4885

“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.