SCHEMBL12269784

SCHEMBL12269784

Cn1cncc1C#Cc1n[nH]c2cc(C(=O)NC(c3ccncc3)c3ccc(Cl)cc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.40
▸ S1PR3 Q99500 11/20 0.39
▸ MAPK1 P28482 8/20 0.39
▸ MAPK3 P27361 5/20 0.39
▸ S1PR1 P21453 5/20 0.37
▸ S1PR2 O95136 2/20 0.37
▸ S1PR4 O95977 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
SCHEMBL12269673 0.90 ROCK2 (0.39) AKT1S1PR3MAPK1
SCHEMBL12318045 0.84 MAPK1 (0.45) AKT1S1PR3MAPK1MAPK3S1PR1
SCHEMBL13844313 0.81 ATM (0.37) MAPK1
SCHEMBL12269662 0.77 TDP1 (0.38) MAPK1
SCHEMBL12269661 0.77 MAP2K4 (0.42) —
SCHEMBL12317853 0.74 ROCK2 (0.43) AKT1MAPK1MAPK3
SCHEMBL12269788 0.74 GSK3B (0.45) —
SCHEMBL12269971 0.73 HPGD (0.45) MAPK1
SCHEMBL12269677 0.73 KDM4E (0.48) MAPK1
SCHEMBL12619726 0.73 L3MBTL1 (0.39) MAPK1MAPK3

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 AKT1 88/4885S1PR3 746/4885MAPK1 81/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 AKT1 88/4885S1PR3 746/4885MAPK1 81/4885

“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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