SCHEMBL14188596

SCHEMBL14188596

O=C1NCCn2nc(-c3ccnc(-c4cc(Cl)ccc4O)n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
CYP19A1 P11511 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
IDO1 P14902 4/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PARP10 Q53GL7 1/20 0.34
RPS6KA2 Q15349 3/20 0.34
RPS6KA3 P51812 2/20 0.34
GRM5 P41594 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 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
SCHEMBL14188553 0.93 CDC7 (0.47) CDC7CYP19A1PIM1PIM2MAPT
SCHEMBL14188562 0.89 CDC7 (0.48) CDC7PIM1PIM2PARP1CDK1
SCHEMBL5002510 0.89 CDC7 (0.48) CDC7PIM1PIM2MAPTMEN1
SCHEMBL14188576 0.88 CDC7 (0.47) CDC7PIM1PIM2PARP1F7
SCHEMBL14188404 0.87 CDC7 (0.46) CDC7PIM1PIM2IDO1PARP1
SCHEMBL14188420 0.87 CDC7 (0.46) CDC7PIM1PIM2IDO1PARP1
SCHEMBL14188487 0.87 CDC7 (0.46) CDC7PIM1PIM2IDO1MAPT
SCHEMBL4993638 0.87 CDC7 (0.48) CDC7PIM1PIM2MAPTMEN1
SCHEMBL4991466 0.86 CDC7 (0.46) CDC7PIM1PIM2MAPTMEN1
SCHEMBL4997121 0.86 CDC7 (0.49) CDC7CYP19A1PIM1PIM2MAPT

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 2 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

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 487/4885CYP19A1 2864/4885PIM1 539/4885

“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.