SCHEMBL1323964

SCHEMBL1323964

O=C(Nc1ncc(-c2cc(C(=O)Nc3ccn[nH]3)c3cn[nH]c3n2)s1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.38
FLT3 P36888 3/20 0.38
ABL1 P00519 2/20 0.38
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
CSF1R P07333 2/20 0.38
LYN P07948 2/20 0.38
KIT P10721 2/20 0.38
SRC P12931 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
BLK P51451 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BRAF P15056 9/20 0.37
RIPK1 Q13546 2/20 0.37
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL1325879 0.89 RAF1 (0.42) KDRFLT3ABL1LCKFYN
SCHEMBL4721935 0.88 RIPK1 (0.40) KDRFLT3ABL1LCKFYN
SCHEMBL16456634 0.87 BRAF (0.38) KDRFLT3ABL1LCKFYN
SCHEMBL1325609 0.87 KDR (0.41) KDRFLT3ABL1LCKFYN
SCHEMBL1322607 0.86 METAP2 (0.40) KDRFLT3ABL1LCKFYN
SCHEMBL1322610 0.85 SORT1 (0.42) KDRFLT3ABL1LCKFYN
SCHEMBL1322598 0.85 SORT1 (0.45) KDRBRAFROCK1
SCHEMBL1323556 0.84 RPS6KB1 (0.40) KDRBRAFRIPK1NTRK1RPS6KB1
SCHEMBL1323509 0.84 SMYD2 (0.39) KDRFLT3ABL1LCKFYN
SCHEMBL1322578 0.84 RPS6KB1 (0.41) KDRLCKBRAFRIPK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058290-B2 E.g., 1-[4-(3-amino-1H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-3-(2-fluoro-5-trifluoromethylphenyl)urea; and N-(6-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrazolo[3,4-b]pyridin-3-yl))thiophene-3-carboxamide; kinase inhibitors, anticancer agents AVENTIS PHARMA S.A. (FR) 2011-11-15 US claimed
US-8058290-B2 E.g., 1-[4-(3-amino-1H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-3-(2-fluoro-5-trifluoromethylphenyl)urea; and N-(6-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrazolo[3,4-b]pyridin-3-yl))thiophene-3-carboxamide; kinase inhibitors, anticancer agents AVENTIS PHARMA S.A. (FR) 2011-11-15 US disclosed
US-8058290-B2 E.g., 1-[4-(3-amino-1H-pyrazolo[3,4-b]pyridin-6-yl)phenyl]-3-(2-fluoro-5-trifluoromethylphenyl)urea; and N-(6-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrazolo[3,4-b]pyridin-3-yl))thiophene-3-carboxamide; kinase inhibitors, anticancer agents AVENTIS PHARMA S.A. (FR) 2011-11-15 US disclosed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US disclosed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 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-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX KDR 3171/4885FLT3 525/4885ABL1 10/4885

“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.