SCHEMBL436120

SCHEMBL436120

CC(=O)Nc1ccc(Nc2nccc(-c3ccc(F)c(C#N)c3)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.49
JAK3 P52333 1/20 0.49
PLK1 P53350 1/20 0.48
ABL1 P00519 1/20 0.45
PDGFRB P09619 1/20 0.45
BCR P11274 1/20 0.45
PDGFRA P16234 1/20 0.45
TBK1 Q9UHD2 3/20 0.44
PIK3CA P42336 1/20 0.44
IKBKB O14920 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAP3K14 Q99558 1/20 0.42

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
SCHEMBL10081114 0.85 TBK1 (0.61) JAK2JAK3PLK1TBK1
SCHEMBL435695 0.83 TBK1 (0.49) JAK2JAK3PLK1ABL1PDGFRB
SCHEMBL434295 0.83 JAK2 (0.57) JAK2JAK3TBK1MAP3K14
SCHEMBL15302199 0.83 JAK2 (0.59) JAK2JAK3TBK1HDAC1
SCHEMBL10081652 0.81 TBK1 (0.49) JAK2JAK3TBK1
SCHEMBL15302387 0.81 TBK1 (0.49) JAK2JAK3TBK1
SCHEMBL15301609 0.81 TBK1 (0.49) JAK2JAK3TBK1
SCHEMBL434746 0.81 IKBKB (0.49) JAK2JAK3PLK1ABL1PDGFRB
Ammonia Solution, Strong SCHEMBL16667425 0.80 TBK1 (0.50) JAK2JAK3TBK1HDAC1
SCHEMBL434745 0.80 TBK1 (0.50) JAK2TBK1HDAC1

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-2595964-B1 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LTD (GB) 2015-04-29 EP 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
EP-2595964-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) 2013-05-29 EP 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 JAK2 629/4885JAK3 495/4885PLK1 211/4885

“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.