SCHEMBL2945776

SCHEMBL2945776

COc1ccc2nccc(-c3ccc(C)cn3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACVR1 Q04771 1/20 0.38
PDE10A Q9Y233 6/20 0.35
PDE2A O00408 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAP4K4 O95819 1/20 0.35
DYRK1A Q13627 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
PDE5A O76074 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
EGFR P00533 1/20 0.33
MAOB P27338 2/20 0.33
METAP2 P50579 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL2924366 0.82 KCNH2 (0.36) ACVR1EGFR
SCHEMBL2925263 0.80 KCNH2 (0.38) ACVR1
SCHEMBL2923193 0.79 CSF1R (0.36) ACVR1DYRK1A
Hydrochloric Acid SCHEMBL2924981 0.79 KCNH2 (0.37) ACVR1MAOB
SCHEMBL2927268 0.78 TGFBR1 (0.41) CCR1CCR8ACVR1PDE10APDE2A
SCHEMBL2917984 0.76 PDE10A (0.48) ACVR1PDE10APDE2ACYP3A4CYP2A6
SCHEMBL2919816 0.75 PDE10A (0.49) ACVR1PDE10APDE2ACYP2A6MAP4K4
SCHEMBL13175886 0.74 ACVR1 (0.36) ACVR1PDE10APIK3CAPIK3CDPIK3CB
SCHEMBL1723539 0.74 PDE10A (0.39) CCR1CCR5CCR8PDE10APDE2A
SCHEMBL23988723 0.74 ACVR1 (0.59) ACVR1

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 CCR1 4617/4885CCR5 3838/4885CCR8 4418/4885

“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.