SCHEMBL3282332

SCHEMBL3282332

CCc1cccc(O)c1.Nc1nc(Nc2ccc(CCC(=O)O)cc2)ncc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.45
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PTK2 Q05397 7/20 0.43
ULK1 O75385 2/20 0.42
AURKA O14965 3/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL3282327 0.81 SYK (0.53) SYKPTK2ULK1AURKAGSK3A
Phenyl Propionic Acid SCHEMBL3287356 0.80 ULK1 (0.47) SYKFFAR1PTK2ULK1AURKA
SCHEMBL3284065 0.78 ULK1 (0.46) SYKFFAR1PTK2ULK1AURKA
SCHEMBL1917462 0.75 FFAR1 (0.52) SYKFFAR1PTK2AURKAGSK3A
Butyric Acid SCHEMBL3285798 0.73 ULK1 (0.49) PTK2ULK1AURKAGSK3AGSK3B
SCHEMBL3286153 0.73 MRGPRX4 (0.46) PTK2ULK1AURKAKDRAURKB
SCHEMBL12998385 0.72 PTK2 (0.79) PTK2ULK1
SCHEMBL3290090 0.71 ULK1 (0.51) PTK2ULK1AURKAGSK3AGSK3B
SCHEMBL31325841 0.70 ULK1 (0.59) SYKPTK2ULK1AURKAGSK3A
SCHEMBL3284056 0.68 SYK (0.50) SYKPTK2ULK1AURKAKDR

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 SYK 2248/4885FFAR1 1402/4885FFAR4 2500/4885
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 SYK 918/4885FFAR1 714/4885FFAR4 2152/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD SYK 2248/4885FFAR1 1402/4885FFAR4 2500/4885

“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.