SCHEMBL2802895

SCHEMBL2802895

O=C(Cc1nccs1)Nc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.56
CHEK2 O96017 3/20 0.54
KDR P35968 2/20 0.54
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
PPARG P37231 1/20 0.51
RECQL P46063 1/20 0.51
SMAD3 P84022 1/20 0.51

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
SCHEMBL2803272 0.90 SCD (0.71) SCDKDRMAPTRAB9AKMT2A
SCHEMBL2805768 0.88 SCD (0.72) SCDCHEK2KDRMAPTRAB9A
SCHEMBL2809774 0.81 KDR (0.57) SCDCHEK2KDRMAPTRAB9A
SCHEMBL2313390 0.81 SCD (0.64) SCDCHEK2
SCHEMBL2802971 0.79 MMP2 (0.73) CHEK2
SCHEMBL2805951 0.79 CHEK2 (0.57) CHEK2KDR
SCHEMBL2804495 0.78 CHEK2 (0.56) SCDCHEK2
SCHEMBL6093689 0.77 MAPT (0.59) MAPTRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL2805873 0.76 CHEK2 (0.55) CHEK2
SCHEMBL2804762 0.76 MMP2 (0.63) CHEK2HPGDALDH1A1POLBRECQL

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 SCD 3183/4885CHEK2 3959/4885KDR 3982/4885

“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.