SCHEMBL1322607

SCHEMBL1322607

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
SMYD2 Q9NRG4 1/20 0.40
RAF1 P04049 1/20 0.39
KDR P35968 8/20 0.38
ABL1 P00519 3/20 0.38
LCK P06239 3/20 0.38
FYN P06241 3/20 0.38
CSF1R P07333 3/20 0.38
LYN P07948 3/20 0.38
KIT P10721 3/20 0.38
FLT1 P17948 3/20 0.38
FLT3 P36888 3/20 0.38
BLK P51451 3/20 0.38
SRC P12931 2/20 0.38
FLT4 P35916 2/20 0.38
RPS6KB1 P23443 3/20 0.38
RIPK1 Q13546 3/20 0.37
TEK Q02763 2/20 0.37
PLK4 O00444 2/20 0.36
AURKA O14965 2/20 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
SCHEMBL1323556 0.92 RPS6KB1 (0.40) SMYD2RAF1KDRRPS6KB1RIPK1
SCHEMBL1322578 0.91 RPS6KB1 (0.41) SMYD2RAF1KDRLCKRPS6KB1
SCHEMBL1323509 0.90 SMYD2 (0.39) SMYD2RAF1KDRABL1LCK
SCHEMBL1325879 0.89 RAF1 (0.42) RAF1KDRABL1LCKFYN
SCHEMBL1323418 0.89 SMYD2 (0.38) SMYD2RAF1KDRABL1LCK
SCHEMBL1322590 0.89 RAF1 (0.38) SMYD2RAF1KDRRIPK1SRPK1
SCHEMBL1323062 0.89 SMYD2 (0.46) SMYD2KDRTEKBRAF
SCHEMBL1322610 0.88 SORT1 (0.42) RAF1KDRABL1LCKFYN
SCHEMBL4721935 0.88 RIPK1 (0.40) KDRABL1LCKFYNCSF1R
SCHEMBL1322490 0.88 SMYD2 (0.45) SMYD2RAF1KDRFLT1RIPK1

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 METAP2 2043/4885SMYD2 1158/4885RAF1 531/4885

“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.