SCHEMBL3661974

SCHEMBL3661974

CC(C)(C)n1cc(NC(=O)Nc2cc(Oc3nccc(-c4cn[nH]c4)n3)c(Cl)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.41
FGFR1 P11362 2/20 0.41
BRAF P15056 5/20 0.37
RAF1 P04049 2/20 0.37
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PDGFRA P16234 2/20 0.36
RIPK1 Q13546 1/20 0.35
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
RIPK2 O43353 1/20 0.34
ABCB11 O95342 1/20 0.34
ABL1 P00519 1/20 0.34
NR3C1 P04150 1/20 0.34
RET P07949 1/20 0.34
HTR1A P08908 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
SCHEMBL3658869 0.88 KDR (0.44) KDRFGFR1BRAFRAF1RXRA
SCHEMBL5065365 0.83 KDR (0.45) KDRFGFR1BRAFRAF1PDGFRA
SCHEMBL3806440 0.81 KDR (0.43) KDRFGFR1PDGFRAPDGFRBFLT3
SCHEMBL3666617 0.81 MAPK14 (0.48) KDRBRAFRAF1RETFLT3
SCHEMBL3797031 0.80 RXRA (0.36) KDRBRAFRXRAGRIN1GRIN2B
SCHEMBL5060873 0.79 RXRA (0.35) KDRBRAFRAF1RXRAGRIN1
SCHEMBL5067406 0.77 RXRA (0.37) KDRBRAFRXRAGRIN1GRIN2B
SCHEMBL3660380 0.77 KDR (0.48) KDRFGFR1BRAFRAF1PDGFRA
SCHEMBL5064093 0.75 MAPK14 (0.38) KDRFGFR1BRAFRXRAGRIN1
SCHEMBL3666384 0.75 KDR (0.47) KDRFGFR1BRAFRAF1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146718-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131253-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
US-20080269254-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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-20080269254-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, BRAF, RET KDR 263/4885FGFR1 202/4885BRAF 2/4885

“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.