SCHEMBL4129048

SCHEMBL4129048

O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
MTOR P42345 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PTGER4 P35408 8/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EP300 Q09472 1/20 0.42
MAPK8 P45983 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL4129042 1.00 EGFR (0.47) EGFRMTORL3MBTL1PTGER4HPGD
SCHEMBL13920746 1.00 EGFR (0.47) EGFRMTORL3MBTL1PTGER4HPGD
SCHEMBL4131531 0.92 L3MBTL1 (0.56) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL4116973 0.88 L3MBTL1 (0.56) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL4131045 0.86 HPGD (0.45) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL4131037 0.86 HPGD (0.45) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL13920745 0.86 HPGD (0.45) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL4131041 0.86 HPGD (0.45) L3MBTL1PTGER4HPGDNPC1RAB9A
SCHEMBL4125095 0.82 L3MBTL1 (0.46) EGFRL3MBTL1HPGD
SCHEMBL4130188 0.81 RAB9A (0.60) L3MBTL1PTGER4HPGDNPC1RAB9A

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
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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 EGFR 3947/4885MTOR 2438/4885L3MBTL1 1221/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 EGFR 3947/4885MTOR 2438/4885L3MBTL1 1221/4885

“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.