SCHEMBL2804762

SCHEMBL2804762

O=C(CCCc1cccnc1)Nc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.63
MMP13 P45452 6/20 0.63
MMP9 P14780 5/20 0.63
MMP8 P22894 5/20 0.63
CHEK2 O96017 2/20 0.54
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL2802971 0.92 MMP2 (0.73) MMP2MMP13MMP9MMP8CHEK2
SCHEMBL2313533 0.81 CHEK2 (0.54) CHEK2
SCHEMBL2808586 0.81 MMP2 (0.62) MMP2MMP13MMP9MMP8CHEK2
SCHEMBL2805873 0.81 CHEK2 (0.55) MMP2MMP13MMP9MMP8CHEK2
SCHEMBL2805951 0.79 CHEK2 (0.57) MMP2MMP13MMP9MMP8CHEK2
SCHEMBL2804495 0.79 CHEK2 (0.56) MMP2MMP13MMP9MMP8CHEK2
SCHEMBL2802895 0.76 SCD (0.56) CHEK2ALDH1A1HPGDPOLBRECQL
SCHEMBL21045176 0.74 RAB9A (0.60) ALDH1A1HSD17B10TP53POLBRECQL
SCHEMBL2809774 0.73 KDR (0.57) CHEK2ALDH1A1HPGD
SCHEMBL21018492 0.73 EGFR (0.65) MMP2MMP13MMP9MMP8TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 US claimed
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 MMP2 3953/4885MMP13 4013/4885MMP9 2966/4885

“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.