SCHEMBL4996397

SCHEMBL4996397

COc1c(Br)cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 0.36
CYP2F1 P24903 1/20 0.36
CYP2C18 P33260 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36

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
SCHEMBL4996896 0.94 CDC7 (0.45) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL5000323 0.91 CDC7 (0.42) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL4991786 0.89 CDC7 (0.42) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL14188372 0.88 CDC7 (0.49) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL4995988 0.88 CDC7 (0.49) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL5000387 0.88 CDC7 (0.51) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL5000316 0.88 CDC7 (0.41) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL4997421 0.88 CDC7 (0.46) CDC7PIM1PIM2LRRK2
SCHEMBL4999813 0.87 CDC7 (0.41) CDC7PIM1PIM2CYP1A1CYP1A2
SCHEMBL4997108 0.87 CDC7 (0.43) CDC7PIM1PIM2LRRK2RPS6KA2

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.