SCHEMBL1667082

SCHEMBL1667082

N#Cc1cccc(-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
ABL1 P00519 2/20 0.59
PRKCA P17252 2/20 0.59
EGFR P00533 1/20 0.59
PRKCD Q05655 1/20 0.59
SMG1 Q96Q15 1/20 0.59
CDK4 P11802 2/20 0.57
CDK2 P24941 2/20 0.57
PLK1 P53350 3/20 0.55
BRD4 O60885 1/20 0.54
GSK3B P49841 2/20 0.54
DYRK1A Q13627 1/20 0.54
PDGFRB P09619 1/20 0.53
BCR P11274 1/20 0.53
PDGFRA P16234 1/20 0.53
IKBKB O14920 2/20 0.53
CHUK O15111 1/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL1667086 0.89 PLK1 (0.68) SYKABL1PRKCASMG1CDK4
SCHEMBL12275241 0.89 PLK1 (0.61) SYKABL1EGFRSMG1CDK4
SCHEMBL12274499 0.89 PLK1 (0.73) SYKABL1PRKCAPRKCDSMG1
SCHEMBL1667452 0.88 SYK (0.58) SYKABL1PRKCASMG1CDK4
SCHEMBL6508664 0.88 CAMK2D (0.69) SYKABL1PRKCAPRKCDSMG1
SCHEMBL12275151 0.86 BRD4 (0.54) SYKABL1SMG1CDK4CDK2
SCHEMBL12274527 0.86 BRD4 (0.54) SYKABL1PRKCASMG1CDK4
SCHEMBL12274360 0.86 SYK (0.62) SYKABL1PRKCASMG1CDK4
SCHEMBL1667472 0.86 MEN1 (0.75) CDK4PLK1BRD4DYRK1AIKBKB
SCHEMBL12274124 0.85 SYK (0.62) SYKABL1PRKCAEGFRPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 CN claimed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 CN disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
US-7304071-B2 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
CN-1863780-A Protein kinase inhibitor and application thereof VERTEX PHARMA (US) 2006-11-15 CN disclosed
EP-1546117-A2 PROTEIN KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-29 EP disclosed
US-20040106615-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-06-03 US disclosed
WO-2004016597-A2 PROTEIN KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-26 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 (3 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-20040106615-A1 Protein kinase inhibitors and uses thereof JAK1, RAF1, PRKCQ SYK 501/4885ADORA2B 4003/4885ADORA1 3891/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK SYK 122/4885ADORA2B 2369/4885ADORA1 1461/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB SYK 112/4885ADORA2B 2227/4885ADORA1 1285/4885

“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.