SCHEMBL1323490

SCHEMBL1323490

O=C(Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1)Nc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 7/20 0.54
BCL3 P20749 5/20 0.49
KDM5B Q9UGL1 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDR P35968 1/20 0.43
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK2 P24941 1/20 0.43
AURKB Q96GD4 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 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
SCHEMBL1322479 0.93 SMYD2 (0.51) SMYD2BCL3KDM4EALDH1A1HPGD
SCHEMBL1323995 0.92 SMYD2 (0.50) SMYD2BCL3KDM4EALDH1A1HPGD
SCHEMBL1322559 0.92 SMYD2 (0.54) SMYD2BCL3KDM5BKDM4EALDH1A1
SCHEMBL1323990 0.90 SMYD2 (0.57) SMYD2KDM5BKDM4EALDH1A1HPGD
SCHEMBL12118856 0.90 EPHX2 (0.49) SMYD2BCL3KDM4EALDH1A1HPGD
SCHEMBL1322467 0.90 ALDH1A1 (0.55) SMYD2BCL3KDM5BKDM4EALDH1A1
SCHEMBL1322925 0.89 SMYD2 (0.49) SMYD2BCL3KDM5BKDM4EALDH1A1
SCHEMBL16456633 0.88 AURKA (0.42) SMYD2BCL3KDM5BALDH1A1KDR
Trifluoroacetic Acid SCHEMBL1322541 0.88 EPHX2 (0.47) SMYD2BCL3KDM5BKDM4EALDH1A1
SCHEMBL1323513 0.87 EPHX2 (0.53) SMYD2KDR

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 6 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
WO-2007017577-A1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-02-15 WO 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 SMYD2 1158/4885BCL3 642/4885KDM5B 433/4885

“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.