SCHEMBL4991753

SCHEMBL4991753

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.50
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
CFTR P13569 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
POLB P06746 2/20 0.42
APOBEC3A P31941 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4996040 0.94 CFTR (0.47) DHODHADORA2AADORA2BCFTRKMT2A
SCHEMBL4991409 0.94 MAPT (0.49) DHODHADORA2AADORA2BKMT2AMEN1
SCHEMBL4996880 0.93 DHODH (0.49) DHODHADORA2AADORA2BCFTRKMT2A
SCHEMBL5000532 0.91 CDK4 (0.51) DHODHKMT2AMEN1CDK4CCND1
SCHEMBL4994570 0.90 AMY1A (0.53) DHODHKMT2AMEN1CDK4CCND1
SCHEMBL4997205 0.90 DHODH (0.54) DHODHKMT2AMEN1POLBALDH1A1
SCHEMBL4996507 0.90 MAPT (0.49) DHODHADORA2BCFTRKMT2AMEN1
SCHEMBL4999586 0.89 DHODH (0.52) DHODHADORA2AADORA2BCFTRKMT2A
SCHEMBL4997144 0.89 MIF (0.40) DHODHADORA2AADORA2BCFTRKMT2A
SCHEMBL4994795 0.89 ALDH1A1 (0.44) DHODHADORA2AADORA2BCFTRKMT2A

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 2517/4885ADORA2A 1887/4885ADORA2B 3003/4885

“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.