SCHEMBL19783358

SCHEMBL19783358

COc1cc(Cl)c2nc(Br)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDK1 Q15118 1/20 0.35

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
SCHEMBL30189743 1.00 F2RL3 (0.44) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL30189939 0.81 ALDH1A1 (0.62) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL11151695 0.81 ALDH1A1 (0.62) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL19782939 0.81 F2RL3 (0.43) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL19782620 0.81 F2RL3 (0.45) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL19782618 0.79 F2RL3 (0.44) F2RL3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22342076 0.79 ALDH1A1 (0.36) F2RL3ALDH1A1
SCHEMBL5419706 0.76 KDM4E (0.52) F2RL3
SCHEMBL8334368 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4
SCHEMBL19783817 0.76 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C19PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F2RL3 2/4885ALDH1A1 1618/4885CYP1A2 200/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885ALDH1A1 1598/4885CYP1A2 176/4885

“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.