SCHEMBL10081571

SCHEMBL10081571

COC(=O)c1cccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.59
BCR P11274 2/20 0.59
SRC P12931 1/20 0.59
TBK1 Q9UHD2 3/20 0.59
STK17A Q9UEE5 2/20 0.55
JAK2 O60674 7/20 0.51
JAK3 P52333 4/20 0.47
CAMK2D Q13557 1/20 0.47
PRKCA P17252 1/20 0.46
SMG1 Q96Q15 2/20 0.45
CDK2 P24941 2/20 0.45
CDK1 P06493 1/20 0.45
MTOR P42345 1/20 0.45
JAK1 P23458 1/20 0.45
NEK3 P51956 1/20 0.45
LIMK1 P53667 1/20 0.45
NEK5 Q6P3R8 1/20 0.45
MYLK4 Q86YV6 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL434437 0.90 TBK1 (0.61) ABL1BCRTBK1STK17AJAK2
SCHEMBL431866 0.90 TBK1 (0.61) ABL1BCRTBK1STK17AJAK2
SCHEMBL10080358 0.87 TBK1 (0.58) TBK1STK17AJAK2JAK3SMG1
SCHEMBL432527 0.86 JAK2 (0.65) ABL1BCRTBK1STK17AJAK2
SCHEMBL434987 0.86 PIK3CG (0.61) TBK1JAK2CAMK2DSMG1CDK2
SCHEMBL28029841 0.85 TBK1 (0.56) TBK1STK17AJAK2JAK3SMG1
SCHEMBL432714 0.84 CDC7 (0.59) ABL1BCRSRCTBK1STK17A
SCHEMBL432429 0.84 CDK2 (0.57) TBK1STK17AJAK2JAK3CDK2
SCHEMBL29932219 0.83 TBK1 (0.60) ABL1BCRSRCTBK1STK17A
SCHEMBL460899 0.83 TBK1 (0.60) ABL1BCRSRCTBK1STK17A

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
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
WO-2012010826-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2012-01-26 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-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHUK, IKBKE, TBKBP1 ABL1 496/4885BCR 871/4885SRC 761/4885

“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.