SCHEMBL3284549

SCHEMBL3284549

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.43
ULK1 O75385 2/20 0.42
EGFR P00533 1/20 0.42
STK17A Q9UEE5 5/20 0.41
JAK3 P52333 1/20 0.41
STK17B O94768 3/20 0.41
PTK2 Q05397 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PTK2B Q14289 1/20 0.39
CDK1 P06493 2/20 0.39

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
SCHEMBL3289710 0.94 CHEK1 (0.46) CHEK1ULK1EGFRSTK17AJAK3
SCHEMBL3285334 0.89 STK17A (0.42) CHEK1ULK1STK17AJAK3STK17B
SCHEMBL1917785 0.89 CHEK1 (0.41) CHEK1ULK1EGFRSTK17AJAK3
SCHEMBL1918469 0.88 CHEK1 (0.42) CHEK1ULK1STK17AJAK3STK17B
SCHEMBL1918007 0.88 CHEK1 (0.43) CHEK1ULK1STK17AJAK3STK17B
SCHEMBL1917458 0.87 STK17A (0.40) CHEK1ULK1EGFRSTK17AJAK3
SCHEMBL3283735 0.84 KDR (0.43) ULK1STK17AJAK3STK17BPTK2
SCHEMBL1917545 0.83 JAK3 (0.49) ULK1EGFRSTK17AJAK3STK17B
SCHEMBL1918200 0.83 PTK2 (0.42) ULK1STK17AJAK3STK17BPTK2
SCHEMBL1916367 0.82 PTK2 (0.43) ULK1PTK2KDRPTK2B

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 409/4885ULK1 1959/4885EGFR 824/4885
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 3237/4885ULK1 3079/4885EGFR 478/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CHEK1 409/4885ULK1 1959/4885EGFR 824/4885

“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.