SCHEMBL1136737

SCHEMBL1136737

CNc1nccc(-c2cnc(OC)c(C=Cc3ccc(N4CCN(C(=O)O)CC4)cc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
FLT3 P36888 1/20 0.40
ITK Q08881 1/20 0.40
JAK2 O60674 9/20 0.39
CDK2 P24941 4/20 0.39
CDK9 P50750 3/20 0.39
ALK Q9UM73 2/20 0.39
AURKA O14965 2/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CDK7 P50613 2/20 0.39
AURKB Q96GD4 2/20 0.39
WEE1 P30291 1/20 0.39
JAK3 P52333 5/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
HDAC3 O15379 1/20 0.39
NCOR1 O75376 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
SCHEMBL1136733 1.00 SRC (0.40) SRCFLT3ITKJAK2CDK2
SCHEMBL1136841 0.90 ABCB1 (0.43) JAK2CDK2CDK9ALKCDK4
SCHEMBL1136839 0.90 ABCB1 (0.43) JAK2CDK2CDK9ALKCDK4
SCHEMBL4790282 0.87 JAK2 (0.35) SRCFLT3ITKJAK2ALK
SCHEMBL4790283 0.87 JAK2 (0.35) SRCFLT3ITKJAK2ALK
SCHEMBL1136704 0.78 CYP17A1 (0.41) CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1
SCHEMBL1136702 0.78 CYP17A1 (0.41) CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1
SCHEMBL3000928 0.72 MAOB (0.38) ALKCYP17A1CYP21A2CYP11B1CYP3A4
SCHEMBL3000938 0.72 MAOB (0.38) ALKCYP17A1CYP21A2CYP11B1CYP3A4
SCHEMBL12864586 0.70 FLT3 (0.64) SRCFLT3ITKJAK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 EP disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
EP-1919905-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 EP disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 US disclosed
WO-2007027528-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-.RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 WO 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-20070185125-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 SRC 369/4885FLT3 416/4885ITK 401/4885

“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.