SCHEMBL374265

SCHEMBL374265

CNc1cc(Nc2cccc(C#N)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 4/20 0.56
ABCG2 Q9UNQ0 5/20 0.52
CDC7 O00311 1/20 0.51
EGFR P00533 4/20 0.50
TP53 P04637 1/20 0.49
F9 P00740 1/20 0.48
SLC2A1 P11166 2/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 1/20 0.45
SYK P43405 1/20 0.45
ABCB1 P08183 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
SCHEMBL27320738 0.81 KDM1A (0.48) ABCG2CDC7EGFRTP53F9
SCHEMBL28618764 0.78 ABCG2 (0.54) ABCG2CDC7EGFRTP53SLC2A1
SCHEMBL31235691 0.78 ABCG2 (0.54) ABCG2CDC7EGFRTP53SLC2A1
SCHEMBL374148 0.77 EGFR (0.71) TNNI3KEGFRMEN1NPC1RAB9A
SCHEMBL18398024 0.77 CYP1A2 (0.64) MEN1KMT2A
SCHEMBL12262248 0.76 EGFR (0.52) TNNI3KABCG2EGFRMEN1NPC1
SCHEMBL582624 0.76 EPHB4 (0.58) ABCG2CDC7EGFRSLC2A1NPC1
SCHEMBL361389 0.75 MAPT (0.53) ABCG2CDC7SLC2A1MEN1NPC1
SCHEMBL953597 0.75 ALDH1A1 (0.56) ABCG2CDC7EGFRSLC2A1MEN1
SCHEMBL374904 0.75 TNNI3K (0.57) TNNI3KEGFRMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8552002-B2 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea NOVARTIS AG (CH) 2013-10-08 US disclosed
EP-2409969-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2013-07-24 EP disclosed
CN-103121973-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-103121972-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG 2013-05-29 CN disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 2013-01-10 US disclosed
US-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
EP-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed
EP-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed
EP-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-05-28 US disclosed
EP-1761505-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2006000420-A1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-01-05 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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 TNNI3K 149/4885ABCG2 1829/4885CDC7 451/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 TNNI3K 149/4885ABCG2 1829/4885CDC7 451/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 TNNI3K 149/4885ABCG2 1829/4885CDC7 451/4885

“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.