SCHEMBL4125775

SCHEMBL4125775

O=C(O)c1cnc2c(c1)nc(-c1ccc3nc(-c4ccccc4Br)ccc3c1)n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.38
AKT2 P31751 6/20 0.38
PTGER4 P35408 1/20 0.37
MGAM O43451 1/20 0.36
HSD17B10 Q99714 1/20 0.35
AKT3 Q9Y243 3/20 0.34
MCL1 Q07820 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
PTPN11 Q06124 1/20 0.33
RXRA P19793 1/20 0.33
RECQL P46063 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL4118168 0.89 SIRT2 (0.47) AKT1AKT2PTGER4SIRT2SIRT1
SCHEMBL4125773 0.84 L3MBTL1 (0.38) PTGER4HSD17B10
SCHEMBL6668322 0.77 ALDH1A1 (0.47) AKT1AKT2PTGER4MGAMHSD17B10
SCHEMBL4118166 0.74 NPC1 (0.40) SIRT2SIRT1
SCHEMBL4130685 0.74 RAB9A (0.45) MGAMMCL1RARBRARG
SCHEMBL4131523 0.73 L3MBTL1 (0.52) PTGER4HSD17B10
SCHEMBL13904704 0.73 L3MBTL1 (0.37)
SCHEMBL5116848 0.72 MEN1 (0.46) AKT1AKT2MGAMHSD17B10AKT3
SCHEMBL31212272 0.70 RAB9A (0.46) HSD17B10MCL1
SCHEMBL25982527 0.70 RAB9A (0.46) HSD17B10MCL1

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-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 AKT1 2991/4885AKT2 3461/4885PTGER4 4135/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 AKT1 2991/4885AKT2 3461/4885PTGER4 4135/4885

“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.