SCHEMBL4991477

SCHEMBL4991477

Cc1ccc(NC(=O)COc2ccccc2-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 3/20 0.41
CETP P11597 2/20 0.41
NOTUM Q6P988 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CEPT1 Q9Y6K0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GSK3A P49840 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL4996893 0.93 SMN1; SMN2 (0.42) MAPTGAAALDH1A1SMN1; SMN2TP53
SCHEMBL4997568 0.92 MAPT (0.49) MAPTGAAALDH1A1TP53NPSR1
SCHEMBL4997306 0.90 ALDH1A1 (0.48) MAPTGAAALDH1A1SMN1; SMN2TP53
SCHEMBL5000181 0.89 LMNA (0.44) MAPTALDH1A1SMN1; SMN2TP53NPSR1
SCHEMBL4994720 0.87 RPS6KA3 (0.44) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL4996880 0.86 DHODH (0.49) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5002372 0.85 NPC1 (0.44) MAPTGAAALDH1A1SMN1; SMN2HTT
SCHEMBL4996641 0.84 MAPT (0.44) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4997109 0.84 HTT (0.42) ALDH1A1SMN1; SMN2HTTNOTUMNPSR1
SCHEMBL4993789 0.82 TP53 (0.41) MAPTGAAALDH1A1SMN1; SMN2TP53

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 MAPT 1363/4885GAA 2228/4885ALDH1A1 4153/4885

“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.