SCHEMBL31129254

SCHEMBL31129254

COC(=O)Nc1cnc(F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KCNQ3 O43525 3/20 0.39
▸ KCNQ2 O43526 3/20 0.39
▸ KCNE1 P15382 2/20 0.39
▸ KCNQ1 P51787 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ KCNQ5 Q9NR82 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL28723884 0.84 KCNQ3 (0.40) SMN1; SMN2ALDH1A1KCNQ3KCNQ2KCNE1
SCHEMBL19776253 0.74 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1FAAHCYP3A4MAPK1
SCHEMBL20446748 0.73 AAK1 (0.56) CYP3A4TNIKABL1MAPT
SCHEMBL487335 0.72 ATM (0.51) ALDH1A1MAPK1KDM4EMAPTKDR
SCHEMBL31129256 0.72 KCNQ3 (0.53) SMN1; SMN2ALDH1A1KCNQ3KCNQ2KCNE1
SCHEMBL14007418 0.72 KDM4E (0.33) ALDH1A1CYP3A4MAPK1KCNQ3KCNQ2
SCHEMBL27837974 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1FAAHCYP3A4MAPK1
SCHEMBL20447299 0.71 AAK1 (0.58) SMN1; SMN2ABL1SRCKMT2A
SCHEMBL31584353 0.71 KMT2A (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL25231546 0.71 BACE1 (0.33) CYP3A4MAPK1KCNQ3KCNQ2KCNE1

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-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-09-19 — — 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-20240309019-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R SMN1; SMN2 4221/4885ALDH1A1 2558/4885FAAH 1567/4885

“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.

Send feedback