SCHEMBL12317931

SCHEMBL12317931

Cn1cncc1-c1n[nH]c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CNR2 P34972 7/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ FAAH O00519 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ITK Q08881 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 1/20 0.38

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
SCHEMBL12269788 0.83 GSK3B (0.45) GSK3BDYRK1ACNR2CNR1PKM
SCHEMBL12317927 0.78 MAP2K4 (0.48) ITK
SCHEMBL12317929 0.78 MAP2K4 (0.53) DYRK1APKMKMT2AMEN1KDM4E
SCHEMBL12317932 0.74 ITK (0.53) PKMKMT2AMEN1KDM4EHSD17B10
SCHEMBL12317933 0.72 ATM (0.52) PKMKMT2AMEN1TSHRKDM4E
SCHEMBL12318101 0.72 ITK (0.51) KDM4EHSD17B10ITKPOLBMAPT
SCHEMBL12318045 0.72 MAPK1 (0.45) GSK3BDYRK1AITK
SCHEMBL12318479 0.71 ITK (0.61) GSK3BITK
SCHEMBL12317853 0.70 ROCK2 (0.43) GSK3BDYRK1AITK
SCHEMBL12318043 0.69 AXL (0.58) —

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 GSK3B 268/4885DYRK1A 756/4885CNR2 2599/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 GSK3B 268/4885DYRK1A 756/4885CNR2 2599/4885

“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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