SCHEMBL6510404

SCHEMBL6510404

CC(CNC(=O)OC(C)(C)C)c1ccc(-c2nc(Cl)ncc2Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
AAK1 Q2M2I8 11/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
BTK Q06187 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ATR Q13535 1/20 0.36
MET P08581 1/20 0.35
SERPINE1 P05121 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL6508416 0.84 STK17B (0.49) STK17BSTK17AAAK1TRPV1
SCHEMBL6509221 0.78 STK17B (0.42) STK17BSTK17AAAK1BTK
SCHEMBL31380404 0.75 STK17B (0.53) STK17BSTK17AATR
SCHEMBL29784722 0.74 AAK1 (0.53) AAK1SERPINE1
SCHEMBL15092577 0.74 AAK1 (0.53) AAK1SERPINE1
SCHEMBL15092576 0.74 AAK1 (0.53) AAK1SERPINE1
SCHEMBL24619149 0.73 TNF (0.38) STK17BSTK17AAAK1
SCHEMBL16794337 0.72 TRPV1 (0.42) STK17BSTK17AAAK1BTKTRPV1
SCHEMBL27063663 0.72 BTK (0.37) BTK
SCHEMBL24619111 0.72 STK17B (0.37) STK17BSTK17AAAK1

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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 US disclosed
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
EP-1222175-A1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES Celltech R&D Limited (GB) 2002-07-17 EP disclosed
WO-2001029009-A1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LIMITED (GB) 2001-04-26 WO 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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 STK17B 3074/4885STK17A 3227/4885AAK1 2762/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 STK17B 3540/4885STK17A 3642/4885AAK1 1970/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 STK17B 3535/4885STK17A 3647/4885AAK1 2002/4885

“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.