SCHEMBL965253

SCHEMBL965253

Cc1ncccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.44
BRD4 O60885 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
ATR Q13535 1/20 0.43
SHMT2 P34897 1/20 0.42
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL269101 0.86 MEN1 (0.60) P2RX7ALDH1A1KMT2AMEN1POLB
SCHEMBL22103681 0.83 POLB (0.64) P2RX7KDM4EALDH1A1KMT2AMEN1
Acetic Acid SCHEMBL19585268 0.82 P2RX7 (0.47) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL9016343 0.82 RAB9A (0.46) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL19151120 0.82 BRD4 (0.54) P2RX7KDM4EALDH1A1POLBBRD4
SCHEMBL12304228 0.82 TP53 (0.54) P2RX7KDM4EALDH1A1KMT2AMEN1
SCHEMBL23591985 0.80 PTPN1 (0.51) P2RX7KDM4EKMT2AMEN1NPC1
SCHEMBL16794590 0.80 KDR (0.42) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL9859896 0.80 RAB9A (0.56) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7888919 0.80 NPC1 (0.47) KDM4EALDH1A1KMT2AMEN1POLB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
EP-3668882-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2020-06-24 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
CN-106661018-B Pyrrolo- [2,3-C] pyridine as neurofibrillary tangles imaging agent 默沙东公司 2019-07-19 CN disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
CN-106661018-A Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles 默沙东公司 2017-05-10 CN disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed
US-20110021780-A1 MANUFACTURING METHOD FOR A PIPERIDINE-3-YLCARBAMATE COMPOUND AND OPTICAL RESOLUTION METHOD THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 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 (4 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 P2RX7 1047/4885KDM4E 1865/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 P2RX7 1088/4885KDM4E 2420/4885ALDH1A1 1598/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 P2RX7 2652/4885KDM4E 743/4885ALDH1A1 719/4885
US-20110021780-A1 MANUFACTURING METHOD FOR A PIPERIDINE-3-YLCARBAMATE COMPOUND AND OPTICAL RESOLUTION METHOD THEREFOR PDCD2L, NOTUM, OXA1L P2RX7 958/4885KDM4E 203/4885ALDH1A1 516/4885

“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.