SCHEMBL23551968

SCHEMBL23551968

CCOC(=O)c1ccc(-c2nn(C)c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.69
KDM4E B2RXH2 1/20 0.57
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
ELANE P08246 7/20 0.50
RARA P10276 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
NAMPT P43490 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 1/20 0.46
TNKS O95271 1/20 0.46

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
SCHEMBL19784752 0.86 F2RL3 (0.79) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL145188 0.85 F2RL3 (0.55) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL27512690 0.83 F2RL3 (0.80) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL363569 0.82 F2RL3 (1.00) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL29403731 0.82 F2RL3 (1.00) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL14869422 0.79 PKN1 (0.51) F2RL3KDM4EHPGDALDH1A1NAMPT
SCHEMBL4478363 0.79 F2RL3 (0.74) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL6705737 0.78 ELANE (0.70) KDM4ERXFP1ELANE
Acetic Acid SCHEMBL15622681 0.76 KMT2A (0.57) KDM4EHPGDALDH1A1SMN1; SMN2NAMPT
SCHEMBL6352575 0.74 KDM4E (0.59) F2RL3KDM4EHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US 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 (1 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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R F2RL3 1/4885KDM4E 1720/4885HPGD 1301/4885

“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.