SCHEMBL12376654

SCHEMBL12376654

CC(C)(C)NC(=O)c1cccn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.50
RIPK3 Q9Y572 5/20 0.50
RIPK2 O43353 2/20 0.50
AXL P30530 7/20 0.47
MERTK Q12866 3/20 0.44
TYRO3 Q06418 2/20 0.44
ABL1 P00519 1/20 0.43
FLT3 P36888 1/20 0.43
AURKB Q96GD4 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL12376649 0.87 MAPT (0.47) AXLMERTKAURKBMEN1KMT2A
SCHEMBL9070098 0.85 MET (0.53) METRIPK3RIPK2AXLMERTK
SCHEMBL15946917 0.82 MET (0.45) METRIPK3RIPK2AXLMERTK
SCHEMBL9004445 0.81 MET (0.53) METRIPK3RIPK2AXLMERTK
SCHEMBL13115615 0.81 BRD4 (0.55) METRIPK3RIPK2AXLMERTK
SCHEMBL15948862 0.80 MET (0.50) METRIPK3RIPK2AXLMERTK
SCHEMBL12376652 0.79 LMNA (0.42) METRIPK3RIPK2AXLMEN1
SCHEMBL679236 0.79 MEN1 (0.61) METRIPK3RIPK2AXLCYP3A4
SCHEMBL362582 0.78 LMNA (0.57) METRIPK3RIPK2AXLCYP3A4
SCHEMBL2425285 0.78 MET (0.60) METRIPK3RIPK2AXLMERTK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (4 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MET 142/4885RIPK3 2712/4885RIPK2 2215/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MET 357/4885RIPK3 870/4885RIPK2 1413/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885RIPK3 870/4885RIPK2 1413/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK MET 1/4885RIPK3 1024/4885RIPK2 828/4885

“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.