SCHEMBL19782545

SCHEMBL19782545

Cc1cc(OCCN)cc2sc(Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
CHEK1 O14757 1/20 0.34
MCL1 Q07820 2/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
IKBKB O14920 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2RL3 Q96RI0 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL30189658 1.00 KMT2A (0.40) KMT2AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL19783467 0.86 CYP1A2 (0.41) KMT2AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL19783059 0.84 HSD17B10 (0.37) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL23462902 0.84 HSD17B10 (0.55) ALDH1A1HSD17B10LMNAMAPTIKBKB
SCHEMBL30189754 0.84 HSD17B10 (0.37) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL10970771 0.84 KMT2A (0.57) KMT2AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL11102832 0.81 LMNA (0.43) KMT2AHSD17B10LMNAMAPTIKBKB
SCHEMBL19782466 0.79 ALDH1A1 (0.46) KMT2AALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL30189852 0.79 ALDH1A1 (0.46) KMT2AALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL30189761 0.74 CA12 (0.44)

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 KMT2A 2420/4885ALDH1A1 1618/4885HSD17B10 2283/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KMT2A 2390/4885ALDH1A1 1598/4885HSD17B10 2146/4885

“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.