SCHEMBL2050489

SCHEMBL2050489

Ic1c[nH]c2ccncc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 5/20 0.59
PIM1 P11309 3/20 0.59
HTR6 P50406 2/20 0.51
DYRK1A Q13627 6/20 0.47
NFATC1 O95644 4/20 0.47
GSK3B P49841 3/20 0.47
IMPDH2 P12268 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.42
TDO2 P48775 3/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL30067091 1.00 HASPIN (0.59) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL245511 0.83 DYRK1A (0.61) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL14059758 0.75 GSK3B (0.51) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL10587 0.75 PIM1 (0.59) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL30295197 0.75 PIM1 (0.59) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL3224448 0.75 ATM (0.52) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL16168495 0.75 HTR6 (0.56) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL29535106 0.75 ATM (0.52) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL245955 0.75 KDM4C (0.47) HASPINPIM1HTR6DYRK1ANFATC1
SCHEMBL245345 0.75 KDM4C (0.47) HASPINPIM1DYRK1ANFATC1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577249-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2026-03-17 US disclosed
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-05-01 US disclosed
US-20240398812-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
EP-4440703-A1 HETEROCYCLIC COMPOUNDS AS GCN2 AND PERK KINASE INHIBITORS Deciphera Pharmaceuticals, LLC (US) 2024-10-09 EP disclosed
EP-4408849-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 EP disclosed
EP-4408850-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 EP disclosed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
CN-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-20230382915-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-30 US disclosed
WO-2015044267-A1 NEW 1-(4-PYRIMIDINYL)-1H-PYRROLO[3,2-c]PYRIDINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 WO disclosed
WO-2014053968-A1 PYRROLO[3,2-C]PYRIDINE TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-04-10 WO disclosed
EP-2519520-A1 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLOPYRIDINYL)-METHANONE DERIVATIVES AS TRYPTASE INHIBITORS SANOFI (FR) 2012-11-07 EP disclosed
CN-102770431-A [4[4- (5-aminomethyl-2-fluoro-phenyl) -piperidin-1-yl ] - (1H-pyrrolopyridin-yl) -methanone and its synthesis SANOFI SA 2012-11-07 CN disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO disclosed
WO-2011038579-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2011-04-07 WO 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 (6 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-12577249-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 HASPIN 1445/4885PIM1 1233/4885HTR6 2495/4885
US-20240398812-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE MCOLN1, PKD2, MCOLN3 HASPIN 1587/4885PIM1 4693/4885HTR6 1165/4885
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE MCOLN1, TRPM2, PKD2 HASPIN 1525/4885PIM1 4683/4885HTR6 1165/4885
US-20230382915-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF EIF2AK4, GCN1, EEF2K HASPIN 890/4885PIM1 942/4885HTR6 3717/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HASPIN 387/4885PIM1 1476/4885HTR6 4242/4885
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF CMA1, TPSB2, TPH1 HASPIN 2268/4885PIM1 2687/4885HTR6 15/4885

“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.