SCHEMBL3283769

SCHEMBL3283769

CCc1ccccc1CCN.Nc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.49
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
STK17A Q9UEE5 5/20 0.43
STK17B O94768 3/20 0.43
PTK2 Q05397 11/20 0.43
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2B Q14289 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 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
SCHEMBL3283767 0.82 STK17A (0.58) ULK1KDRSTK17ASTK17BPTK2
Butyric Acid SCHEMBL3285798 0.80 ULK1 (0.49) ULK1KDRAURKAAURKBSTK17A
Phenyl Propionic Acid SCHEMBL3287356 0.79 ULK1 (0.47) ULK1KDRAURKAAURKBPTK2
SCHEMBL3286153 0.78 MRGPRX4 (0.46) ULK1KDRAURKAAURKBPTK2
SCHEMBL3290090 0.77 ULK1 (0.51) ULK1KDRAURKAAURKBSTK17A
SCHEMBL3284065 0.75 ULK1 (0.46) ULK1KDRAURKAAURKBSTK17A
SCHEMBL3284056 0.74 SYK (0.50) ULK1KDRAURKAAURKBPTK2
SCHEMBL1916314 0.72 STK17A (0.67) STK17ASTK17B
SCHEMBL1917507 0.72 ULK1 (0.50) ULK1AURKASTK17ASTK17BPTK2
SCHEMBL3285894 0.71 STK17A (0.55) AURKASTK17ASTK17BPTK2B

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 1959/4885KDR 607/4885AURKA 1005/4885
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 3079/4885KDR 130/4885AURKA 1385/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD ULK1 1959/4885KDR 607/4885AURKA 1005/4885

“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.