SCHEMBL19783127

SCHEMBL19783127

COC(=O)c1cc(C#N)cc(Br)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 5/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
CFTR P13569 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
CISD2 Q8N5K1 1/20 0.37

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
SCHEMBL14645844 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL30373127 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1TTR
SCHEMBL26088496 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1TTR
SCHEMBL16411023 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL16411014 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL23069753 0.80 MEN1 (0.47) KDM4EMEN1TTRALBKMT2A
SCHEMBL4990291 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL1202036 0.80 VCAM1 (0.46) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL26088441 0.79 KMT2A (0.40) KDM4EALDH1A1HPGDMEN1TTR
SCHEMBL30373268 0.79 KMT2A (0.40) KDM4EALDH1A1HPGDMEN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES UT RESEARCH FOUNDATION 2022-11-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
WO-2021046315-A2 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-03-11 WO disclosed
WO-2021046315-A2 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-03-11 WO disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (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-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES NEFM, EIF2AK2, PMP22 KDM4E 3589/4885ALDH1A1 1861/4885HPGD 2829/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 KDM4E 2420/4885ALDH1A1 1598/4885HPGD 1104/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 KDM4E 1865/4885ALDH1A1 1618/4885HPGD 866/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KDM4E 2420/4885ALDH1A1 1598/4885HPGD 1104/4885

“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.