SCHEMBL4996880

SCHEMBL4996880

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.49
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
CFTR P13569 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4996641 0.94 MAPT (0.44) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4996040 0.93 CFTR (0.47) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4991753 0.93 DHODH (0.50) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4996507 0.92 MAPT (0.49) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4997586 0.89 KMT2A (0.39) DHODHMAPTKMT2AMEN1HPGD
SCHEMBL4994570 0.88 AMY1A (0.53) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5000532 0.88 CDK4 (0.51) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4991820 0.87 MAPT (0.43) MAPTKMT2AALDH1A1KDM4EPOLB
SCHEMBL4991409 0.87 MAPT (0.49) DHODHMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4997205 0.86 DHODH (0.54) DHODHMAPTKMT2AMEN1SMN1; 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 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 DHODH 2517/4885MAPT 1363/4885KMT2A 1490/4885

“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.