SCHEMBL4500646

SCHEMBL4500646

c1ccc(-c2nc3cc(-c4nnn[nH]4)ccc3n2C2CCCCC2)c(-c2ncc3nccnc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.33
CYP11B1 P15538 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKACA P17612 2/20 0.31
RPS6KB1 P23443 2/20 0.31
GSK3B P49841 2/20 0.31
ROCK1 Q13464 1/20 0.31
OPRL1 P41146 2/20 0.31
OGFRL1 Q5TC84 2/20 0.31
OPRK1 P41145 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4129327 0.83 L3MBTL1 (0.34) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL6397709 0.78 CYP11B2 (0.40) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL4118380 0.77 KDM4E (0.36) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL5493427 0.75 PRKACA (0.37) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL6398862 0.75 CYP11B2 (0.38) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL6400154 0.75 CYP11B2 (0.40) CYP11B2CYP11B1L3MBTL1KDM4EALDH1A1
SCHEMBL4134597 0.75 HDAC1 (0.37) CYP11B2CYP11B1HTR2BHTR6OPRL1
SCHEMBL4130614 0.75 HPGD (0.38) CYP11B2CYP11B1HTR2BHTR6OPRL1
SCHEMBL4137491 0.75 CYP11B2 (0.41) CYP11B2CYP11B1L3MBTL1HTR2BHTR6
SCHEMBL5797566 0.75 PRKACA (0.41) CYP11B2CYP11B1L3MBTL1KDM4EALDH1A1

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 2 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-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (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-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CYP11B2 452/4885CYP11B1 490/4885L3MBTL1 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.