SCHEMBL13607692

SCHEMBL13607692

COc1ccc2nccc(-c3ccc(CN)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
LOX P28300 1/20 0.44
ADRB2 P07550 1/20 0.37
PRKCI P41743 2/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
AKT2 P31751 1/20 0.35
KCNH2 Q12809 3/20 0.35
ACVR1 Q04771 1/20 0.35
GRM2 Q14416 1/20 0.35
EGFR P00533 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2925165 0.90 MAOB (0.43) LOXL2LOXENPP3ENPP1AKT2
Hydrochloric Acid SCHEMBL2926449 0.88 MAOB (0.44) LOXL2LOXAKT2KCNH2
SCHEMBL2922147 0.86 KCNH2 (0.35) ENPP3ENPP1KCNH2ACVR1
SCHEMBL2925161 0.84 GRM2 (0.40) ENPP3ENPP1KCNH2GRM2
SCHEMBL3115300 0.81 DYRK1A (0.48) ACVR1
SCHEMBL15884572 0.81 RAF1 (0.44) ACVR1EGFR
SCHEMBL13175669 0.79 RPS6KA3 (0.36) KCNH2ACVR1
SCHEMBL20775145 0.78 LOXL2 (0.44) LOXL2LOXADRB2PRKCIENPP3
Hydrochloric Acid SCHEMBL2920921 0.78 KCNH2 (0.35) KCNH2ACVR1
Hydrochloric Acid SCHEMBL20774971 0.77 LOXL2 (0.43) LOXL2LOXADRB2PRKCIENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG LOXL2 3659/4885LOX 3637/4885ADRB2 3776/4885

“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.