SCHEMBL4991418

SCHEMBL4991418

O=C(c1ccccc1)c1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GRM5 P41594 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
SMO Q99835 2/20 0.35
PARP1 P09874 1/20 0.35
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4995882 0.94 CDC7 (0.49) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4994640 0.91 CDC7 (0.48) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL14188510 0.91 CDC7 (0.48) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4999920 0.90 CDC7 (0.44) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4991763 0.90 CDC7 (0.52) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4991016 0.90 CDC7 (0.54) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4990601 0.90 CDC7 (0.56) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4996859 0.89 CDC7 (0.51) CDC7MEN1KMT2APIM1PIM2
SCHEMBL4994895 0.89 CDC7 (0.56) CDC7MEN1KMT2ANPC1RAB9A
SCHEMBL4997324 0.88 CDC7 (0.44) CDC7MEN1KMT2ANPC1RAB9A

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 CDC7 487/4885MEN1 2627/4885KMT2A 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.