SCHEMBL31129258

SCHEMBL31129258

COC(=O)Nc1ccnc(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.64
SMARCA4 P51532 1/20 0.64
SORT1 Q99523 3/20 0.52
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
PORCN Q9H237 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30293080 0.83 SMARCA2 (0.57) SMARCA2SMARCA4SORT1PORCNMEN1
SCHEMBL16055308 0.83 SMARCA2 (0.57) SMARCA2SMARCA4SORT1PORCNMEN1
SCHEMBL15880685 0.83 SMARCA2 (0.65) SMARCA2SMARCA4SORT1PORCNMEN1
SCHEMBL12442177 0.82 PORCN (0.70) PORCN
SCHEMBL17804195 0.82 SMARCA2 (0.64) SMARCA2SMARCA4JAK2JAK1TYK2
SCHEMBL7672757 0.81 SMARCA2 (0.63) SMARCA2SMARCA4SORT1JAK2JAK1
SCHEMBL15890225 0.81 PORCN (0.68) SMARCA2SMARCA4SORT1PORCNSMN1; SMN2
SCHEMBL25235088 0.80 SMARCA2 (0.54) SMARCA2SMARCA4SORT1MEN1KMT2A
SCHEMBL15880595 0.80 SMARCA2 (0.61) SMARCA2SMARCA4SORT1MEN1KMT2A
SCHEMBL22125195 0.78 SMARCA2 (1.00) SMARCA2SMARCA4SORT1SMN1; SMN2MEN1

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 SMARCA2 3441/4885SMARCA4 2329/4885SORT1 3520/4885

“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.