SCHEMBL1323398

SCHEMBL1323398

O=C(Nc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)cn1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
SMYD2 Q9NRG4 2/20 0.49
KDR P35968 2/20 0.47
PDGFRB P09619 1/20 0.47
FLT1 P17948 1/20 0.47
KCNH2 Q12809 2/20 0.45
CD274 Q9NZQ7 1/20 0.44
RAF1 P04049 1/20 0.43
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK14 Q16539 1/20 0.42
CCNT1 O60563 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1323526 0.92 EPHX2 (0.60) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL16456606 0.89 KDR (0.45) EPHX2KDRPDGFRBFLT1CD274
SCHEMBL1321944 0.89 EPHX2 (0.56) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL12118856 0.87 EPHX2 (0.49) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL1322611 0.86 EPHX2 (0.51) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL1323921 0.86 SMYD2 (0.51) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL1322577 0.86 EPHX2 (0.50) EPHX2SMYD2KDRPDGFRBFLT1
Trifluoroacetic Acid SCHEMBL1322541 0.84 EPHX2 (0.47) EPHX2SMYD2KDRPDGFRBFLT1
SCHEMBL14619183 0.84 SMYD2 (0.49) EPHX2SMYD2KCNH2CD274KDM4E
SCHEMBL1323826 0.83 SMYD2 (0.53) EPHX2SMYD2KDRPDGFRBFLT1

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 EPHX2 2677/4885SMYD2 1158/4885KDR 3171/4885

“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.