SCHEMBL4997610

SCHEMBL4997610

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
RXRA P19793 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CFTR P13569 1/20 0.41
ABCB1 P08183 3/20 0.40
XDH P47989 5/20 0.40
CDC7 O00311 1/20 0.39
ENPP2 Q13822 1/20 0.38
TNFRSF1A P19438 1/20 0.38

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
SCHEMBL4997120 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PDE4APDE4B
SCHEMBL14188586 0.87 CDC7 (0.44) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL4996040 0.86 CFTR (0.47) SMN1; SMN2CFTR
SCHEMBL14188457 0.86 CDC7 (0.50) CFTRCDC7
SCHEMBL4994961 0.85 CDC7 (0.44) POLBCFTRCDC7
SCHEMBL4995825 0.85 CDC7 (0.46) NPC1TP53SMN1; SMN2HIF1ACFTR
SCHEMBL5002697 0.85 HSD17B10 (0.41) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL4993219 0.84 CDC7 (0.42) CFTRCDC7
SCHEMBL4996334 0.84 CFTR (0.44) NPC1TP53SMN1; SMN2CFTRCDC7
SCHEMBL4991763 0.84 CDC7 (0.52) POLBCDC7

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 MRGPRX4 3128/4885NPC1 3564/4885TP53 2285/4885

“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.