SCHEMBL19783074

SCHEMBL19783074

COc1cc(C)c2nc(Br)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.36
NQO2 P16083 3/20 0.33
PDE2A O00408 1/20 0.33
DHFR P00374 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
IKBKB O14920 2/20 0.30
PRNP P04156 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NNMT P40261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30189475 1.00 RECQL (0.38) RECQLPOLBNQO2PDE2ADHFR
SCHEMBL19782397 0.84 RECQL (0.39) RECQLPOLBPDE2ADHFRMAPT
SCHEMBL30189804 0.81 HSD17B10 (0.46) RECQLPOLBDHFRSMN1; SMN2CYP1A2
SCHEMBL19783030 0.81 HSD17B10 (0.46) RECQLPOLBDHFRSMN1; SMN2CYP1A2
SCHEMBL30189941 0.78
SCHEMBL30189687 0.78 IKBKB (0.53) IKBKB
SCHEMBL19783579 0.78 IKBKB (0.53) IKBKB
SCHEMBL30189614 0.77 PDE4A (0.36) MAPTALDH1A1KDM4E
SCHEMBL19782952 0.77 PDE4A (0.36) MAPTALDH1A1KDM4E
SCHEMBL30189726 0.74 L3MBTL1 (0.50) MAPTSMN1; SMN2CYP1A2KMT2AALDH1A1

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 RECQL 620/4885POLB 2313/4885NQO2 756/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 RECQL 738/4885POLB 2406/4885NQO2 851/4885

“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.