SCHEMBL1136841

SCHEMBL1136841

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
DYRK2 Q92630 1/20 0.41
ALK Q9UM73 6/20 0.40
CCND3 P30281 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CCNK O75909 1/20 0.40
CDK6 Q00534 1/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
WNT3A P56704 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
SCHEMBL1136839 1.00 ABCB1 (0.43) ABCB1DYRK2ALKCCND3CDK4
SCHEMBL1136733 0.90 SRC (0.40) ALKCDK4CCNA2CDK2CDK9
SCHEMBL1136737 0.90 SRC (0.40) ALKCDK4CCNA2CDK2CDK9
SCHEMBL4790283 0.82 JAK2 (0.35) ALKJAK2JAK3EGFRHDAC3
SCHEMBL4790282 0.82 JAK2 (0.35) ALKJAK2JAK3EGFRHDAC3
SCHEMBL12864813 0.80 ABCB1 (0.53) ABCB1ALKCCND3CDK4CCND1
SCHEMBL1136714 0.80 ABCB1 (0.51) ABCB1ALKCCND3CDK4CCND1
SCHEMBL1136716 0.80 ABCB1 (0.51) ABCB1ALKCCND3CDK4CCND1
SCHEMBL1136797 0.75 ABCB1 (0.46) ABCB1ALKCCND3CDK4CCND1
SCHEMBL1136795 0.75 ABCB1 (0.46) ABCB1ALKCCND3CDK4CCND1

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
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
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 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-20070185125-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 ABCB1 1732/4885DYRK2 359/4885ALK 550/4885

“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.