SCHEMBL374117

SCHEMBL374117

Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.57
JAK2 O60674 7/20 0.57
JAK1 P23458 7/20 0.57
JAK3 P52333 7/20 0.55
TTBK1 Q5TCY1 1/20 0.54
TTBK2 Q6IQ55 1/20 0.54
MAPK10 P53779 2/20 0.54
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
AHR P35869 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.51
PLK4 O00444 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50

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
SCHEMBL27681354 0.92 JAK1 (0.53) CD274JAK2JAK1JAK3TTBK1
SCHEMBL374409 0.84 CD274 (0.59) CD274JAK2JAK1JAK3MAPK10
SCHEMBL2194198 0.84 JAK2 (0.56) CD274JAK2JAK1JAK3TTBK1
SCHEMBL1094812 0.84 ADK (0.58) ABL1BCRMAPTHTTNPC1
SCHEMBL12192511 0.83 MAPK10 (0.54) CD274JAK2JAK1JAK3MAPK10
SCHEMBL1095507 0.83 MAPT (0.52) JAK2JAK3ABL1BCRMAPT
SCHEMBL374270 0.81 CD274 (0.55) CD274JAK2JAK1JAK3MAPT
SCHEMBL373634 0.81 HCK (0.56) CD274JAK2JAK1JAK3ABL1
SCHEMBL2178686 0.79 JAK3 (0.63) CD274JAK2JAK1JAK3TTBK1
SCHEMBL12482572 0.79 JAK2 (0.62) CD274JAK2JAK1JAK3MAPK10

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 11 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
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 CD274 3917/4885JAK2 84/4885JAK1 61/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CD274 3917/4885JAK2 84/4885JAK1 61/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CD274 3917/4885JAK2 84/4885JAK1 61/4885

“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.