SCHEMBL19782420

SCHEMBL19782420

COC(=O)C(C)Oc1cc2sc(Br)nc2c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 4/20 0.34
MAPK1 P28482 4/20 0.34
TSHR P16473 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL19782660 0.82 F9 (0.37) F9PLAUALDH1A1KDM4EGAA
SCHEMBL19783660 0.80 STING1 (0.32) STING1
SCHEMBL19783010 0.79 KMT2A (0.32) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL19782649 0.78 STING1 (0.32) STING1
SCHEMBL21379321 0.78 STING1 (0.32) STING1
SCHEMBL19783068 0.77 MAPT (0.41) ALDH1A1KDM4EGAATSHRNPSR1
SCHEMBL19782421 0.76 LMNA (0.41) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL19783435 0.73 CYP2C19 (0.35) LMNA
SCHEMBL19782968 0.70 CISD2 (0.41) ALDH1A1KDM4EHPGDNPSR1HDAC3
SCHEMBL19783073 0.70 KMT2A (0.33) GAAHSD17B10KMT2A

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 4 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 disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US 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 (2 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 F9 33/4885PLAU 60/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F9 51/4885PLAU 68/4885ALDH1A1 1598/4885

“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.