SCHEMBL4290838

SCHEMBL4290838

COc1ccc(C(=O)Nc2cnn(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
TP53 P04637 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALOX15 P16050 1/20 0.62
MAOA P21397 1/20 0.61
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
CYP1A2 P05177 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGFR P00533 3/20 0.57
FGFR1 P11362 3/20 0.57
KDR P35968 3/20 0.57
TAS2R8 Q9NYW2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4279669 0.85 EGFR (0.63) RAB9ANPC1TP53MAOAKMT2A
SCHEMBL6966254 0.82 EGFR (0.70) RAB9ANPC1SMN1; SMN2MAOAALDH1A1
SCHEMBL6799157 0.78 RAB9A (1.00) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL16109190 0.76 CES2 (0.61) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL16482899 0.76 MAOA (1.00) MAOA
SCHEMBL17003555 0.76 MAOA (1.00) MAOA
Hydrochloric Acid SCHEMBL31004728 0.75 TAS2R8 (0.57) SMN1; SMN2MAOAALDH1A1EGFRFGFR1
SCHEMBL16416791 0.75 TAS2R8 (0.57) SMN1; SMN2MAOAALDH1A1EGFRFGFR1
Hydrochloric Acid SCHEMBL17002628 0.75 MAOA (0.97) MAOA
Hydrochloric Acid SCHEMBL17002629 0.75 MAOA (0.97) MAOA

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP RAB9A 291/4885NPC1 1266/4885TP53 392/4885

“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.