SCHEMBL4996539

SCHEMBL4996539

COc1ccc(C)cc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
LRRK2 Q5S007 5/20 0.34
GRM5 P41594 1/20 0.34
CREBBP Q92793 1/20 0.34
USP2 O75604 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGLL Q99685 1/20 0.34
RPS6KA2 Q15349 1/20 0.33
EGFR P00533 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL14188389 0.90 CDC7 (0.45) CDC7PIM1PIM2LRRK2USP2
SCHEMBL14188507 0.89 CDC7 (0.44) CDC7PIM1PIM2CCNT1CDK9
SCHEMBL14188663 0.89 CDC7 (0.44) CDC7PIM1PIM2CCNT1CDK9
SCHEMBL5000426 0.89 CDC7 (0.44) CDC7PIM1PIM2LRRK2USP2
SCHEMBL14188392 0.89 CDC7 (0.47) CDC7PIM1PIM2LRRK2USP2
SCHEMBL4999698 0.88 CYP1A2 (0.47) CDC7PIM1PIM2CCNT1CDK9
SCHEMBL4986910 0.87 CDC7 (0.48) CDC7PIM1PIM2GRM5KMT2A
SCHEMBL4993991 0.86 CDC7 (0.42) CDC7PIM1PIM2RPS6KA2
SCHEMBL4996341 0.86 CDC7 (0.43) CDC7PIM1PIM2LRRK2USP2
SCHEMBL4993470 0.86 CDC7 (0.45) CDC7PIM1PIM2LRRK2USP2

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 487/4885PIM1 539/4885PIM2 309/4885

“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.