SCHEMBL13932134

SCHEMBL13932134

Cc1cc(C)c2nc(Nc3ccc(CC#N)cc3)n(Cc3nc(C)ccc3O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ P2RX3 P56373 10/20 0.33
▸ IDH1 O75874 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ TBXA2R P21731 1/20 0.31

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
SCHEMBL4280018 0.89 P2RX3 (0.38) ABCB1ABCG2P2RX3IDH1
SCHEMBL4280686 0.88 P2RX3 (0.34) P2RX3IDH1KDM4EALDH1A1GFER
SCHEMBL8285787 0.86 KDM4E (0.37) P2RX3IDH1KDM4EALDH1A1GFER
SCHEMBL8285797 0.85 ABCB1 (0.36) ABCB1ABCG2P2RX3KDM4EALDH1A1
SCHEMBL8283679 0.80 KDM4E (0.39) KDM4EALDH1A1GFER
SCHEMBL14003034 0.80 KDM4E (0.39) KDM4EALDH1A1GFER
SCHEMBL13932114 0.75 KDM4E (0.43) KDM4EALDH1A1GFER
SCHEMBL4284545 0.75 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL8284750 0.75 KDM4E (0.38) KDM4EALDH1A1GFER
SCHEMBL8284613 0.73 KDM4E (0.41) KDM4EALDH1A1GFER

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-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION BONFANTI JEAN-FRANCOIS 2009-02-05 — — US disclosed
US-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION BONFANTI JEAN-FRANCOIS 2009-02-05 — — 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-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 ABCB1 2788/4885ABCG2 1367/4885P2RX3 1597/4885

“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.

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