SCHEMBL1322467

SCHEMBL1322467

COc1ccccc1NC(=O)Nc1ncc(-c2cc(C(=O)NCCN3CCOCC3)c3cn[nH]c3n2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMYD2 Q9NRG4 7/20 0.54
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.47
ABL1 P00519 1/20 0.46
BCL3 P20749 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDM5B Q9UGL1 1/20 0.43

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
SCHEMBL1323538 0.92 LMNA (0.53) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL16456588 0.90 ALDH1A1 (0.47) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1322559 0.90 SMYD2 (0.54) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1323490 0.90 SMYD2 (0.54) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1323860 0.89 SMYD2 (0.52) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1323990 0.88 SMYD2 (0.57) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1322479 0.87 SMYD2 (0.51) ALDH1A1SMYD2KDM4EHPGDTSHR
SCHEMBL1323995 0.86 SMYD2 (0.50) ALDH1A1SMYD2KDM4EHPGDTSHR
SCHEMBL1322925 0.85 SMYD2 (0.49) ALDH1A1SMYD2KDM4EHPGDHSD17B10
SCHEMBL1323987 0.84 EPHX2 (0.54) ALDH1A1SMYD2KDM4EHPGDNPC1

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 ALDH1A1 2144/4885SMYD2 1158/4885KDM4E 481/4885

“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.