SCHEMBL6528626

SCHEMBL6528626

C=CCOC(=O)NC(C)(C)c1ccc(-c2nc(Nc3ccc(C(C)OS(=O)(=O)c4ccccc4C)cc3)ncc2Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.36
ALK Q9UM73 7/20 0.34
MET P08581 3/20 0.34
HDAC1 Q13547 2/20 0.34
BTK Q06187 2/20 0.34
MAPK1 P28482 4/20 0.34
INSR P06213 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6532732 0.90 CDK1 (0.40) PTK2ALKMETHDAC1HDAC2
SCHEMBL6528622 0.88 CDK1 (0.39) PTK2BTKMAPK1
SCHEMBL6888385 0.81 CDK1 (0.53) BTKMAPK1
SCHEMBL6510344 0.76 EGFR (0.41) BTKMAPK1
SCHEMBL6888387 0.67 CDK1 (0.47) BTKMAPK1
SCHEMBL6512138 0.67 CDK1 (0.37) PTK2BTKMAPK1
SCHEMBL6509221 0.65 STK17B (0.42) HDAC1BTKHDAC2HDAC6
SCHEMBL6517890 0.65 CDK1 (0.54)
SCHEMBL6511549 0.64 CDK1 (0.49) BTK
SCHEMBL6519455 0.64 CDK1 (0.68) BTK

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 4 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

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 PTK2 454/4885ALK 33/4885MET 78/4885
US-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 PTK2 91/4885ALK 59/4885MET 32/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 PTK2 89/4885ALK 51/4885MET 32/4885

“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.