SCHEMBL3604391

SCHEMBL3604391

Nc1nccc(C(=O)CBr)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
NUDT1 P36639 5/20 0.39
ROCK1 Q13464 3/20 0.37
GSK3B P49841 3/20 0.36
GSK3A P49840 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM5A P29375 1/20 0.36
JMJD1C Q15652 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
PTPN1 P18031 2/20 0.35
HSP90AA1 P07900 2/20 0.35
AURKA O14965 1/20 0.35
PRKACA P17612 1/20 0.35
ADORA2A P29274 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35
P2RX7 Q99572 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
Bromide SCHEMBL4518423 0.98 HRH4 (0.38) HRH4NUDT1ROCK1GSK3BGSK3A
SCHEMBL2034194 0.81 TLR8 (0.44) HRH4NUDT1ROCK1KDM4EKDM5A
SCHEMBL1960481 0.78 GSK3B (0.41) GSK3BKDM4EKDM5AJMJD1CKDM3A
SCHEMBL29701760 0.78 GSK3B (0.41) GSK3BKDM4EKDM5AJMJD1CKDM3A
SCHEMBL1457909 0.76 KDM4E (0.58) HRH4ROCK1KDM4EKDM5AJMJD1C
SCHEMBL2606614 0.76 ROCK1 (0.49) HRH4ROCK1GSK3BGSK3AKDM4E
SCHEMBL882674 0.75 ALDH1A1 (0.45) HRH4NUDT1ROCK1KDM4EKDM5A
Hydrochloric Acid SCHEMBL28387519 0.74 P2RX7 (0.53) HRH4NUDT1ROCK1GSK3BGSK3A
SCHEMBL15645769 0.74 PTPN1 (0.42) GSK3BPTPN1
SCHEMBL25702955 0.74 GSK3B (0.42) GSK3BGSK3AKDM4EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
US-9670191-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-06 US disclosed
US-9670191-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-06 US disclosed
US-9670191-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-06 US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US disclosed
WO-2009040399-A1 SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-02 WO disclosed
WO-2009040399-A1 SUBSTITUTED PYRROLO-PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-02 WO disclosed
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO disclosed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO disclosed
WO-2007096334-A1 PYRROLOPYRROLONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-08-30 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 (3 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-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 HRH4 1864/4885NUDT1 1061/4885ROCK1 522/4885
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 HRH4 1167/4885NUDT1 1086/4885ROCK1 854/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 HRH4 2022/4885NUDT1 876/4885ROCK1 295/4885

“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.