SCHEMBL12318045

SCHEMBL12318045

Cn1cncc1-c1n[nH]c2cc(C(=O)NC(c3ccncc3)c3ccc(Cl)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.45
▸ MAPK3 P27361 6/20 0.45
▸ AKT1 P31749 1/20 0.43
▸ MAP2K4 P45985 1/20 0.40
▸ S1PR3 Q99500 5/20 0.40
▸ ITK Q08881 1/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL12317853 0.90 ROCK2 (0.43) MAPK1MAPK3AKT1ITKGSK3B
SCHEMBL12269784 0.84 AKT1 (0.40) MAPK1MAPK3AKT1S1PR3S1PR1
SCHEMBL12317927 0.76 MAP2K4 (0.48) MAPK1MAP2K4ITK
SCHEMBL12317929 0.75 MAP2K4 (0.53) MAPK1MAP2K4ITKDYRK1A
SCHEMBL12269673 0.74 ROCK2 (0.39) MAPK1AKT1S1PR3GSK3BDYRK1A
SCHEMBL12317932 0.72 ITK (0.53) MAPK1MAPK3ITK
SCHEMBL12318101 0.72 ITK (0.51) MAPK1MAPK3ITK
SCHEMBL12653398 0.72 L3MBTL1 (0.41) MAPK1MAPK3ITKGSK3BDYRK1A
SCHEMBL12317931 0.72 GSK3B (0.47) ITKGSK3BDYRK1A
SCHEMBL12317933 0.70 ATM (0.52) ITK

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-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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 (2 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 MAPK1 81/4885MAPK3 31/4885AKT1 88/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 MAPK1 81/4885MAPK3 31/4885AKT1 88/4885

“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.

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