SCHEMBL4130727

SCHEMBL4130727

Cc1ccc2cc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 4/20 0.41
GSK3B P49841 4/20 0.41
RPS6KB1 P23443 2/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP11B2 P19099 6/20 0.35
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ROCK1 Q13464 3/20 0.32
RORC P51449 1/20 0.31
MCHR1 Q99705 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
CYP11B1 P15538 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL4123443 0.90 L3MBTL1 (0.35) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4125421 0.81 CYP11B2 (0.39) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL6401070 0.81 KDM4E (0.38) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4130964 0.79 CYP11B2 (0.38) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4118380 0.78 KDM4E (0.36) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4131496 0.78 HDAC1 (0.37) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4118354 0.78 CYP11B2 (0.42) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL13905028 0.78 CYP11B2 (0.42) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL6400154 0.78 CYP11B2 (0.40) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E
SCHEMBL4137491 0.77 CYP11B2 (0.41) PRKACAGSK3BRPS6KB1ALDH1A1KDM4E

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 PRKACA 4160/4885GSK3B 2012/4885RPS6KB1 3007/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 PRKACA 4160/4885GSK3B 2012/4885RPS6KB1 3007/4885

“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.