SCHEMBL4118380

SCHEMBL4118380

Cc1ncc2nc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)cnc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B2 P19099 8/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PRKACA P17612 4/20 0.32
GSK3B P49841 4/20 0.32
RPS6KB1 P23443 2/20 0.32
CYP11B1 P15538 4/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
PRKCA P17252 1/20 0.32
JAK1 P23458 1/20 0.32
KDR P35968 1/20 0.32
ROCK1 Q13464 3/20 0.31
MCHR1 Q99705 1/20 0.31
OPRL1 P41146 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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 0.88 L3MBTL1 (0.34) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4130964 0.84 CYP11B2 (0.38) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL6401070 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL6400154 0.80 CYP11B2 (0.40) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4137491 0.80 CYP11B2 (0.41) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4134597 0.80 HDAC1 (0.37) CYP11B2CYP11B1KDROPRL1HTR2B
SCHEMBL4130614 0.80 HPGD (0.38) CYP11B2CYP11B1KDROPRL1HTR2B
SCHEMBL6400434 0.79 CYP11B2 (0.41) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4118354 0.78 CYP11B2 (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4130727 0.78 PRKACA (0.41) KDM4EALDH1A1MAPTGFERTDP1

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 8 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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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

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 KDM4E 2491/4885ALDH1A1 2299/4885MAPT 2748/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 KDM4E 2491/4885ALDH1A1 2299/4885MAPT 2748/4885

“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.