SCHEMBL828532

SCHEMBL828532

Cc1cn(-c2cc(NC(=O)N(c3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)N(C(=O)Nc3cccc(N4CCCC4)c3)c3ccc(Oc4ccnc(-c5cnn(C)c5)c4)cc3F)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
NR2E1 Q9Y466 9/20 0.39
LDLR P01130 1/20 0.39
KIT P10721 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
ABL1 P00519 4/20 0.39
BCR P11274 2/20 0.39
NTRK1 P04629 2/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MEN1 O00255 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL828531 0.90 KDR (0.45) KDRNR2E1NTRK1RAF1BRAF
SCHEMBL826932 0.89 KDR (0.44) KDRNR2E1LDLRKITPCSK9
SCHEMBL826931 0.82 KDR (0.48) KDRNR2E1ABL1BCRNTRK1
SCHEMBL827575 0.79 NTRK1 (0.43) KDRNTRK1NTRK2RAF1BRAF
SCHEMBL828849 0.78 KDR (0.54) KDRNR2E1LDLRKITPCSK9
SCHEMBL574137 0.77 KDR (0.49) KDRNR2E1LDLRKITPCSK9
SCHEMBL573468 0.77 KDR (0.54) KDRNR2E1LDLRKITPCSK9
SCHEMBL574587 0.76 KDR (0.51) KDRNR2E1LDLRKITPCSK9
SCHEMBL574372 0.76 CSF1R (0.58) KDRBRAF
SCHEMBL574451 0.75 KDR (0.60) KDRNR2E1LDLRKITPCSK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 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 (1 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-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF KDR 239/4885NR2E1 3773/4885LDLR 3125/4885

“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.