SCHEMBL3286465

SCHEMBL3286465

NC(=O)CC(Nc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.47
FLT3 P36888 3/20 0.46
KIT P10721 2/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
STK17A Q9UEE5 4/20 0.44
STK17B O94768 3/20 0.44
ULK1 O75385 1/20 0.44
AURKA O14965 1/20 0.43
EGFR P00533 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL3291460 0.89 PTK2 (0.49) PTK2FLT3KITGSK3AGSK3B
SCHEMBL1918171 0.89 PTK2 (0.49) PTK2FLT3KITGSK3AGSK3B
SCHEMBL3284730 0.89 PTK2 (0.50) PTK2FLT3KITGSK3AGSK3B
SCHEMBL1918301 0.87 PTK2 (0.49) PTK2FLT3KITGSK3AGSK3B
SCHEMBL1917000 0.85 PTK2 (0.51) PTK2FLT3GSK3AGSK3BSTK17A
SCHEMBL3283529 0.84 PTK2 (0.53) PTK2GSK3AGSK3BCDC7ROCK2
SCHEMBL3284338 0.83 PTK2 (0.52) PTK2FLT3KITGSK3AGSK3B
SCHEMBL1916072 0.83 PTK2 (0.50) PTK2FLT3KITGSK3AGSK3B
SCHEMBL1917015 0.82 PTK2 (0.43) PTK2GSK3AGSK3BULK1AURKA
SCHEMBL3283749 0.82 PTK2 (0.43) PTK2GSK3AGSK3BULK1AURKA

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 PTK2 3366/4885FLT3 278/4885KIT 370/4885
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 PTK2 1110/4885FLT3 343/4885KIT 171/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885FLT3 278/4885KIT 370/4885

“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.