SCHEMBL2925263

SCHEMBL2925263

COc1ccc2nccc(-c3ccc(CCN)cn3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
ACVR1 Q04771 1/20 0.36
WNT3A P56704 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CYP11B1 P15538 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
Hydrochloric Acid SCHEMBL2924981 0.99 KCNH2 (0.37) KCNH2ACVR1WNT3ALOXLOXL2
SCHEMBL2924366 0.85 KCNH2 (0.36) KCNH2ACVR1WNT3ACYP11B1
SCHEMBL2925165 0.84 MAOB (0.43) KCNH2TAAR1LOXLOXL2
Hydrochloric Acid SCHEMBL2926449 0.83 MAOB (0.44) KCNH2TAAR1LOXLOXL2
SCHEMBL2923193 0.82 CSF1R (0.36) ACVR1WNT3ACYP11B1
SCHEMBL2945776 0.80 CCR1 (0.41) ACVR1
SCHEMBL3170747 0.78 LOXL2 (0.45) KCNH2TAAR1LOXL2
SCHEMBL13175669 0.76 RPS6KA3 (0.36) KCNH2ACVR1
SCHEMBL13607692 0.76 LOXL2 (0.44) KCNH2ACVR1LOXLOXL2
Hydrochloric Acid SCHEMBL2920921 0.75 KCNH2 (0.35) KCNH2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP 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
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO 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 KCNH2 3365/4885ACVR1 4835/4885WNT3A 4383/4885

“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.