SCHEMBL13629649

SCHEMBL13629649

CCc1ccc(-c2nc(N)cs2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 3/20 0.42
SREBF1 P36956 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
PRMT1 Q99873 3/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GFER P55789 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
SCHEMBL13629628 0.84 PIK3CA (0.48) SREBF2RAB9ANPC1PRMT1CDC25A
SCHEMBL3960593 0.84 CYP19A1 (0.37) SREBF2RAB9ANPC1PRMT1CDC25A
SCHEMBL13057201 0.84 PIK3CD (0.51) RAB9ANPC1GAAPRMT1CDC25A
SCHEMBL13615799 0.84 PDE10A (0.38) SREBF2RAB9ANPC1GAAPOLB
SCHEMBL3647330 0.82 CDC25A (0.38) SREBF2RAB9ANPC1PRMT1CDC25A
SCHEMBL20390797 0.80 MEN1 (0.50) RAB9ANPC1GAACDC25ACDC25B
SCHEMBL20390829 0.79 SREBF2 (0.40) SREBF2SREBF1RAB9ANPC1GAA
SCHEMBL4308509 0.79 CYP2E1 (0.46) SREBF2RAB9ANPC1CDC25ACDC25B
SCHEMBL13622940 0.78 RAB9A (0.58) SREBF2SREBF1RAB9ANPC1GAA
SCHEMBL20390796 0.77 CDC25A (0.40) RAB9ANPC1PRMT1CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 EP disclosed
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 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 (2 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 SREBF2 3296/4885SREBF1 2638/4885RAB9A 157/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 SREBF2 3296/4885SREBF1 2638/4885RAB9A 157/4885

“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.