SCHEMBL1136716

SCHEMBL1136716

COc1ncc(Br)cc1C=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.51
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
ALK Q9UM73 4/20 0.41
CCND3 P30281 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
NAMPT P43490 1/20 0.41
CCNK O75909 1/20 0.41

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
SCHEMBL1136714 1.00 ABCB1 (0.51) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL12864813 0.89 ABCB1 (0.53) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1136704 0.87 CYP17A1 (0.41) MAPTALDH1A1
SCHEMBL1136702 0.87 CYP17A1 (0.41) MAPTALDH1A1
SCHEMBL1136797 0.83 ABCB1 (0.46) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1136795 0.83 ABCB1 (0.46) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1136839 0.80 ABCB1 (0.43) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1136841 0.80 ABCB1 (0.43) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL1115306 0.74 MAPT (0.67) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL18155030 0.73 SUV39H2 (0.42) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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 ABCB1 1732/4885MAPT 1276/4885LMNA 1627/4885

“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.