SCHEMBL4125061

SCHEMBL4125061

CC1=NCc2ccc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

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 9/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
PRKACA P17612 4/20 0.32
GSK3B P49841 4/20 0.32
RPS6KB1 P23443 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP11B1 P15538 5/20 0.32
ROCK1 Q13464 3/20 0.31
HTR2B P41595 1/20 0.30
HTR6 P50406 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
SCHEMBL4125031 0.80 KDM4E (0.36) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4125421 0.80 CYP11B2 (0.39) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4137491 0.80 CYP11B2 (0.41) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL5488685 0.80 L3MBTL1 (0.36) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL5481983 0.79 KDM4E (0.35) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4130964 0.79 CYP11B2 (0.38) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4126373 0.79 L3MBTL1 (0.60) L3MBTL1RPS6KB1HDAC1HDAC8HDAC6
SCHEMBL13905028 0.78 CYP11B2 (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL4118354 0.78 CYP11B2 (0.42) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL6400154 0.76 CYP11B2 (0.40) 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 4 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

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.