SCHEMBL4996040

SCHEMBL4996040

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.47
DHODH Q02127 8/20 0.45
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2B P29275 5/20 0.41
ADORA2A P29274 4/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL4991753 0.94 DHODH (0.50) CFTRDHODHMEN1MAPTKMT2A
SCHEMBL4996880 0.93 DHODH (0.49) CFTRDHODHMEN1MAPTKMT2A
SCHEMBL4996507 0.91 MAPT (0.49) CFTRDHODHMEN1MAPTKMT2A
SCHEMBL4991409 0.88 MAPT (0.49) DHODHMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4996641 0.87 MAPT (0.44) DHODHMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL5000532 0.87 CDK4 (0.51) DHODHMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4991820 0.87 MAPT (0.43) MAPTKMT2AADORA2BADORA2ARXFP1
SCHEMBL4997610 0.86 MRGPRX4 (0.43) CFTRSMN1; SMN2
SCHEMBL4994570 0.85 AMY1A (0.53) DHODHMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4997205 0.85 DHODH (0.54) DHODHMEN1MAPTKMT2ASMN1; 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 CFTR 4192/4885DHODH 2517/4885MEN1 2627/4885

“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.