SCHEMBL3284730

SCHEMBL3284730

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 9/20 0.50
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
EGFR P00533 1/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
TYK2 P29597 1/20 0.46
KDR P35968 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2B Q14289 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
ULK1 O75385 1/20 0.45
AURKA O14965 1/20 0.45
FLT3 P36888 2/20 0.45
KIT P10721 1/20 0.45
SYK P43405 1/20 0.44
CHEK1 O14757 1/20 0.43
BRD4 O60885 2/20 0.43
STK17B O94768 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
SCHEMBL1918301 0.92 PTK2 (0.49) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL3291460 0.91 PTK2 (0.49) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL1918171 0.91 PTK2 (0.49) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL3286465 0.89 PTK2 (0.47) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL3284338 0.87 PTK2 (0.52) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL1917000 0.87 PTK2 (0.51) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL3283529 0.86 PTK2 (0.53) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL3292046 0.86 PTK2 (0.48) PTK2EGFRJAK2NTRK1TYK2
SCHEMBL1916072 0.84 PTK2 (0.50) PTK2GSK3AGSK3BEGFRJAK2
SCHEMBL1917015 0.84 PTK2 (0.43) PTK2GSK3AGSK3BEGFRJAK2

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 PTK2 3366/4885GSK3A 1259/4885GSK3B 1036/4885
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 1110/4885GSK3A 1044/4885GSK3B 852/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885GSK3A 1259/4885GSK3B 1036/4885

“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.