SCHEMBL12318033

SCHEMBL12318033

Cn1cncc1-c1n[nH]c2cc(N3CCOCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.51
▸ ITK Q08881 1/20 0.48
▸ FGFR1 P11362 6/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ NTRK1 P04629 2/20 0.41
▸ FGFR2 P21802 3/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ MAP4K1 Q92918 2/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 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
SCHEMBL12318030 0.92 LRRK2 (0.50) LRRK2ITKFGFR1FLT1CLK2
SCHEMBL13839354 0.78 LRRK2 (0.40) LRRK2ITKFGFR1FLT1NTRK1
SCHEMBL12318031 0.76 PRKDC (0.43) LRRK2FGFR1PRKDCPIK3CDPIK3CA
SCHEMBL12318032 0.73 IDO1 (0.50) LRRK2ITKFGFR1FLT1
SCHEMBL13839356 0.73 LRRK2 (0.42) LRRK2ITKFGFR1FLT1NTRK1
SCHEMBL16025888 0.73 LRRK2 (0.63) LRRK2
SCHEMBL12317929 0.70 MAP2K4 (0.53) ITKDYRK1A
SCHEMBL25029256 0.69 MAPT (0.60) LRRK2ITKFGFR1FLT1
SCHEMBL12318042 0.69 AXL (0.58) CLK2CLK3DYRK1A
SCHEMBL29548155 0.68 LRRK2 (0.72) LRRK2ITKFGFR1FLT1FGFR2

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 LRRK2 391/4885ITK 480/4885FGFR1 486/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 LRRK2 391/4885ITK 480/4885FGFR1 486/4885

“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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