SCHEMBL4128616

SCHEMBL4128616

O=C(O)c1cncc(NC(=O)c2ccc3c(c2)nc(-c2ccc4nc(-c5ccccc5)ccc4c2)n3C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 2/20 0.43
BMPR2 Q13873 2/20 0.42
EGFR P00533 5/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
BCAT2 O15382 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL4125936 0.91 L3MBTL1 (0.48) L3MBTL1NAMPTBMPR2EGFRCYP3A4
SCHEMBL4129971 0.89 L3MBTL1 (0.48) L3MBTL1NAMPTBMPR2EGFRCYP3A4
SCHEMBL4125294 0.87 L3MBTL1 (0.58) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4125216 0.87 L3MBTL1 (0.43) L3MBTL1NAMPTBMPR2EGFRCYP3A4
SCHEMBL13905149 0.87 L3MBTL1 (0.45) L3MBTL1BMPR2EGFRCYP3A4CYP1A2
SCHEMBL4122761 0.86 L3MBTL1 (0.57) L3MBTL1BCAT2HDAC6HDAC1HDAC8
SCHEMBL4131184 0.86 L3MBTL1 (0.42) L3MBTL1NAMPTBMPR2EGFRCYP3A4
SCHEMBL4120836 0.85 CYP3A4 (0.45) L3MBTL1BMPR2EGFRCYP3A4CYP1A2
SCHEMBL4118216 0.83 EGFR (0.45) L3MBTL1BMPR2EGFRCYP3A4CYP1A2
SCHEMBL4129929 0.83 L3MBTL1 (0.56) L3MBTL1BMPR2EGFRBCAT2

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
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
US-6852719-B2 Dietetics; antidiabetic agents; antiinflammatory agents PFIZER INC. (US) 2005-02-08 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885NAMPT 1688/4885BMPR2 4096/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885NAMPT 1688/4885BMPR2 4096/4885

“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.