SCHEMBL374747

SCHEMBL374747

O=C=Nc1c(Cl)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CLCN2 P51788 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
NOTUM Q6P988 1/20 0.32
PYCR1 P32322 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDK1 Q15118 1/20 0.30
PDE2A O00408 1/20 0.30
IDO1 P14902 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL163538 0.79 GABRA1 (0.43) MAPK1TDP1GABRA1GABRB2NOTUM
SCHEMBL11783399 0.78 MAPK1 (0.48) MAPK1TDP1GABRA1GABRB2
SCHEMBL1493105 0.73 TDP1 (0.44) MAPK1TDP1GABRA1GABRB2
SCHEMBL1513863 0.73 CYP3A4 (0.47) MAPK1TDP1GABRA1GABRB2NOTUM
SCHEMBL11778381 0.72 CYP3A4 (0.32) MAPK1TDP1
SCHEMBL58303 0.71 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL29397209 0.71 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL856525 0.71 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL28211238 0.71 GABRA1 (0.45) TDP1GABRA1GABRB2P2RX7
SCHEMBL2991016 0.69 NOTUM (0.41) MAPK1CLCN2HTR3EHTR3BHTR3A

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 MAPK1 39/4885TDP1 915/4885CLCN2 3617/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 MAPK1 39/4885TDP1 915/4885CLCN2 3617/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 MAPK1 39/4885TDP1 915/4885CLCN2 3617/4885

“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.