SCHEMBL5000396

SCHEMBL5000396

CCc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.47
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PARP1 P09874 4/20 0.37
HTR2C P28335 2/20 0.35
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.34
USP1 O94782 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPT P10636 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
SCHEMBL4994308 0.87 CDC7 (0.49) CDC7PIM1PIM2PARP1CYP1A2
SCHEMBL4993164 0.86 CDC7 (0.45) CDC7PIM1PIM2KDM4EALDH1A1
SCHEMBL5002436 0.85 CDC7 (0.43) CDC7PIM1PIM2CYP1A2KDM4E
SCHEMBL4997121 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1KDM4E
SCHEMBL5002646 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1CYP1A2
SCHEMBL5002817 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4991826 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1CDK9
SCHEMBL4994550 0.84 CDC7 (0.52) CDC7PIM1PIM2PARP1MAPKAPK2
SCHEMBL4992051 0.84 CDC7 (0.49) CDC7PIM1PIM2PARP1CYP1A2
SCHEMBL14188495 0.84 CDC7 (0.45) CDC7PIM1PIM2PARP1MAPT

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.