SCHEMBL4995734

SCHEMBL4995734

COc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.45
CDC7 O00311 1/20 0.44
KCNH2 Q12809 1/20 0.42
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
SYK P43405 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ITGB2 P05107 2/20 0.36
ICAM1 P05362 2/20 0.36
ITGAL P20701 2/20 0.36
S1PR1 P21453 2/20 0.36
MGLL Q99685 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
SCHEMBL14188457 0.89 CDC7 (0.50) LRRK2CDC7PIM1PIM2
SCHEMBL14188515 0.87 CDC7 (0.46) LRRK2CDC7PIM1PIM2
SCHEMBL4994390 0.87 CDC7 (0.46) LRRK2CDC7KCNH2CTSSCTSK
SCHEMBL5002366 0.86 CDC7 (0.47) LRRK2CDC7KCNH2PIM1PIM2
SCHEMBL4994946 0.86 CDC7 (0.47) LRRK2CDC7KCNH2PIM1PIM2
SCHEMBL14188574 0.85 CDC7 (0.46) LRRK2CDC7SYKPIM1PIM2
SCHEMBL4997506 0.85 CDC7 (0.46) CDC7PIM1PIM2
SCHEMBL4997114 0.85 CDC7 (0.46) LRRK2CDC7PIM1PIM2
SCHEMBL4997421 0.85 CDC7 (0.46) LRRK2CDC7PIM1PIM2
SCHEMBL4997439 0.85 CDC7 (0.46) LRRK2CDC7KCNH2CTSSCTSK

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 LRRK2 577/4885CDC7 487/4885KCNH2 2038/4885

“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.