SCHEMBL19783639

SCHEMBL19783639

COc1cc(C(O)c2ccccc2C(C)C)c2nc(N)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.36
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
SCN4A P35499 1/20 0.35
PDPK1 O15530 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 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
SCHEMBL30189666 1.00 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL19783627 0.86 ALDH1A1 (0.40) TDP1MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL30189938 0.86 ALDH1A1 (0.40) TDP1MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL21379367 0.80 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL30189741 0.76 PNMT (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL19783632 0.76 PNMT (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL21379356 0.72 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL21395379 0.72 GAA (0.42) TDP1MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL14445628 0.70 ALDH1A1 (0.61) CYP3A4CYP1A2TDP1MAPTHSD17B10
SCHEMBL7998251 0.70 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19TDP1MAPT

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 7 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
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
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
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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 61/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP3A4 15/4885CYP1A2 200/4885CYP2C19 64/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 61/4885

“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.