SCHEMBL3289710

SCHEMBL3289710

CN(C)CCCN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.46
STK17A Q9UEE5 6/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
STK17B O94768 3/20 0.42
EGFR P00533 1/20 0.41
ULK1 O75385 2/20 0.41
PTK2 Q05397 3/20 0.40
PTK2B Q14289 1/20 0.40
JAK3 P52333 1/20 0.40
CYP1A2 P05177 1/20 0.39
CNR2 P34972 1/20 0.39
BRD4 O60885 1/20 0.39
CDK1 P06493 2/20 0.38

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
SCHEMBL3284549 0.94 CHEK1 (0.43) CHEK1STK17APDGFRBKDRPLK1
SCHEMBL1918007 0.90 CHEK1 (0.43) CHEK1STK17ASTK17BULK1PTK2
SCHEMBL1917458 0.89 STK17A (0.40) CHEK1STK17APDGFRBKDRPLK1
SCHEMBL3285334 0.88 STK17A (0.42) CHEK1STK17AKDRSTK17BULK1
SCHEMBL3283735 0.86 KDR (0.43) STK17APDGFRBKDRPLK1PLK3
SCHEMBL1918469 0.86 CHEK1 (0.42) CHEK1STK17ASTK17BULK1PTK2
SCHEMBL1917785 0.84 CHEK1 (0.41) CHEK1STK17APDGFRBKDRPLK1
SCHEMBL1917556 0.83 PTK2 (0.43) STK17AKDRSTK17BEGFRULK1
SCHEMBL1915999 0.82 CHEK1 (0.67) CHEK1STK17ASTK17B
SCHEMBL1917545 0.82 JAK3 (0.49) STK17ASTK17BEGFRULK1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD CHEK1 409/4885STK17A 1083/4885PDGFRB 394/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR CHEK1 3237/4885STK17A 2304/4885PDGFRB 253/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CHEK1 409/4885STK17A 1083/4885PDGFRB 394/4885

“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.