SCHEMBL460899

SCHEMBL460899

N#Cc1cc(-c2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)ccc1N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.60
JAK2 O60674 4/20 0.52
ABL1 P00519 4/20 0.51
BCR P11274 4/20 0.51
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
PRKCA P17252 1/20 0.48
PDPK1 O15530 3/20 0.47
TYK2 P29597 2/20 0.47
CSF1R P07333 1/20 0.47
CAMK2D Q13557 1/20 0.47
STK17A Q9UEE5 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
STK17B O94768 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
SIK2 Q9H0K1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL29932219 1.00 TBK1 (0.60) TBK1JAK2ABL1BCRJAK1
SCHEMBL432527 0.90 JAK2 (0.65) TBK1JAK2ABL1BCRJAK1
SCHEMBL10081108 0.88 JAK2 (0.54) JAK2ABL1BCRPDGFRBPDGFRA
SCHEMBL434437 0.86 TBK1 (0.61) TBK1JAK2ABL1BCRJAK1
SCHEMBL431866 0.85 TBK1 (0.61) TBK1JAK2ABL1BCRJAK1
SCHEMBL432472 0.84 TBK1 (0.65) TBK1JAK2ABL1JAK1JAK3
SCHEMBL10081571 0.83 ABL1 (0.59) TBK1JAK2ABL1BCRJAK1
SCHEMBL435947 0.83 TBK1 (0.63) TBK1JAK2JAK3CAMK2DSMG1
SCHEMBL15301583 0.83 TBK1 (0.63) TBK1JAK2ABL1BCRCAMK2D
SCHEMBL10080358 0.82 TBK1 (0.58) TBK1JAK2JAK3STK17ASMG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022195963-A1 MICROGLIAL M1 POLARIZATION INHIBITOR AND PHARMACEUTICAL COMPOSITION 国立大学法人北海道大学 2022-09-22 WO disclosed
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-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
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

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 TBK1 10/4885JAK2 629/4885ABL1 496/4885

“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.