SCHEMBL12448809

SCHEMBL12448809

N#Cc1cccc(-c2ccnc(Nc3cccc(SN)c3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.55
SMG1 Q96Q15 1/20 0.55
CDK4 P11802 2/20 0.53
CDK2 P24941 2/20 0.53
BRD4 O60885 1/20 0.51
ABL1 P00519 5/20 0.50
BCR P11274 5/20 0.50
CAMK2D Q13557 2/20 0.50
PRKCA P17252 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
SRC P12931 2/20 0.48
EGFR P00533 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48

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
SCHEMBL1667082 0.85 SYK (0.60) SYKSMG1CDK4CDK2BRD4
SCHEMBL6508664 0.83 CAMK2D (0.69) SYKSMG1CDK4CDK2BRD4
SCHEMBL1667452 0.83 SYK (0.58) SYKSMG1CDK4CDK2BRD4
SCHEMBL12275241 0.81 PLK1 (0.61) SYKSMG1CDK4CDK2BRD4
SCHEMBL1667404 0.81 IKBKB (0.62) SYKSMG1CDK2IKBKBCHUK
SCHEMBL12276265 0.80 PIK3CG (0.69) SYKSMG1CDK4CDK2BRD4
SCHEMBL12522374 0.80 JAK2 (0.60) SYKSMG1CDK4CDK2BRD4
SCHEMBL12274368 0.80 SYK (0.58) SYKSMG1CDK4CDK2BRD4
SCHEMBL12274499 0.79 PLK1 (0.73) SYKSMG1CDK4CDK2BRD4
SCHEMBL1667086 0.79 PLK1 (0.68) SYKSMG1CDK4CDK2BRD4

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
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB SYK 112/4885SMG1 305/4885CDK4 645/4885

“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.