SCHEMBL374096

SCHEMBL374096

Nc1cc(Nc2ccc(F)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.61
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCNE1 P24864 1/20 0.61
CDK2 P24941 1/20 0.61
CDK5R1 Q15078 1/20 0.61
SCN9A Q15858 2/20 0.58
MAPK10 P53779 2/20 0.56
CYP1A2 P05177 4/20 0.54
CYP2C19 P33261 4/20 0.54
CYP2D6 P10635 3/20 0.54
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 3/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
CLK4 Q9HAZ1 3/20 0.52
USP2 O75604 2/20 0.52

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
SCHEMBL13064955 0.81 CDK5 (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL1094522 0.81 SCN9A (0.58) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL3431925 0.81 CDK1 (0.60) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL29439042 0.81 ABL1 (0.62) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL373960 0.80 EGFR (0.57) MAPK10CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL27991640 0.80 CYP1A2 (0.60) MAPK10CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL22328022 0.80 NPC1 (0.64) SCN9AMAPK10CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL31668911 0.80 ABL1 (0.61) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL28038743 0.79 CDK5 (0.58) CDK5CDK1CCNB1CCNA2CCNE1
SCHEMBL4665672 0.79 CYP1A2 (0.69) MAPK10CYP1A2CYP2C19CYP2D6CYP3A4

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-115073361-B Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2024-04-12 CN disclosed
CN-115073361-A Rosin diterpenoid compound and preparation method and application thereof 广东药科大学 2022-09-20 CN disclosed
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-20130012476-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-01-10 US disclosed
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS DING QIANG (CN) 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
CN-101035769-A Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2007-09-12 CN 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 CDK5 59/4885CDK1 3/4885CCNB1 457/4885
US-20130012704-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, CDK1 CDK5 59/4885CDK1 3/4885CCNB1 457/4885
US-20090137804-A1 Compounds and Compositions as Protein Kinase Inhibitors MAP3K20, MAP3K1, CDK1 CDK5 59/4885CDK1 3/4885CCNB1 457/4885

“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.