SCHEMBL1227640

SCHEMBL1227640

CSc1ncc(C#N)c(N[C@H]2CC[C@H](O)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.49
LRRK2 Q5S007 2/20 0.41
CHUK O15111 1/20 0.40
MAPK8 P45983 5/20 0.37
PRKCQ Q04759 3/20 0.36
PRKCD Q05655 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK3 P52333 4/20 0.35
JAK2 O60674 2/20 0.35
IRAK1 P51617 1/20 0.35
TYRO3 Q06418 2/20 0.35
FLT3 P36888 1/20 0.35
GAS6 Q14393 1/20 0.35
AXL P30530 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
JAK1 P23458 3/20 0.34
MAPK9 P45984 4/20 0.34

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
SCHEMBL1227632 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL1227635 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL13625177 1.00 MERTK (0.49) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL14656110 0.93 MERTK (0.43) MERTKLRRK2MAPK8JAK3JAK2
SCHEMBL14657460 0.87 MAPK8 (0.42) MERTKLRRK2CHUKMAPK8PRKCQ
SCHEMBL28455414 0.84 MAPK8 (0.37) MERTKMAPK8JAK3JAK2CYP2C9
SCHEMBL1226660 0.83 LRRK2 (0.44) MERTKLRRK2CHUKPRKCQKDM4E
SCHEMBL1227148 0.83 MEN1 (0.47) MERTKLRRK2CHUKPRKCQKDM4E
SCHEMBL16822051 0.82 PRKCQ (0.53) MERTKLRRK2CHUKPRKCQPRKCD
SCHEMBL16822047 0.82 PRKCQ (0.53) MERTKLRRK2CHUKPRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268840-B2 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC (US) 2012-09-18 US disclosed
EP-2280969-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132980-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases ROCHE PALO ALTO LLC 2009-10-29 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 (1 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-20090270389-A1 Pyrimidinyl pyridone inhibitors of kinases MAP3K1, MAP3K20, MAP3K6 MERTK 529/4885LRRK2 546/4885CHUK 77/4885

“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.