SCHEMBL3284065

SCHEMBL3284065

Nc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F.O=C(O)CCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.46
PTK2 Q05397 2/20 0.45
SYK P43405 3/20 0.45
MAP4K4 O95819 1/20 0.45
FFAR1 O14842 3/20 0.44
STK17A Q9UEE5 2/20 0.43
CNR2 P34972 3/20 0.42
CYP1A2 P05177 1/20 0.41
AURKA O14965 2/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
CDK1 P06493 1/20 0.40
STK17B O94768 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
Phenyl Propionic Acid SCHEMBL3287356 0.94 ULK1 (0.47) ULK1PTK2SYKFFAR1CNR2
SCHEMBL3290090 0.88 ULK1 (0.51) ULK1PTK2STK17ACNR2CYP1A2
Butyric Acid SCHEMBL3285798 0.87 ULK1 (0.49) ULK1PTK2STK17ACNR2CYP1A2
SCHEMBL1917462 0.79 FFAR1 (0.52) PTK2SYKFFAR1STK17ACNR2
SCHEMBL3282332 0.78 SYK (0.45) ULK1PTK2SYKFFAR1AURKA
SCHEMBL3284056 0.77 SYK (0.50) ULK1PTK2SYKAURKAKDR
SCHEMBL1917000 0.77 PTK2 (0.51) ULK1PTK2SYKSTK17AAURKA
SCHEMBL3286886 0.77 STK17A (0.54) PTK2STK17AAURKAKDRSTK17B
SCHEMBL1917110 0.75 STK17A (0.58) PTK2STK17AKDRSTK17B
SCHEMBL3286153 0.75 MRGPRX4 (0.46) ULK1PTK2CYP1A2AURKAKDR

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 6 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
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
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 ULK1 1959/4885PTK2 3366/4885SYK 2248/4885
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 ULK1 3079/4885PTK2 1110/4885SYK 918/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD ULK1 1959/4885PTK2 3366/4885SYK 2248/4885

“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.