SCHEMBL3684604

SCHEMBL3684604

N#Cc1cc(-c2ccoc2)cn2c(Cl)c(C(=O)O)nc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.35
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
ADORA2A P29274 1/20 0.32
F11 P03951 1/20 0.31
XDH P47989 2/20 0.31
SERPINE1 P05121 1/20 0.31
NT5E P21589 1/20 0.31
CHEK1 O14757 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL3695056 0.87 NR4A2 (0.39) LRRK2CRHBPCRHR2ADORA1ADORA2A
SCHEMBL1583247 0.80 ERN1 (0.40) MAPTSERPINE1NT5E
SCHEMBL7499904 0.80 HPGD (0.41) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL3699155 0.80 SERPINE1 (0.36) SERPINE1NT5EALDH1A1
SCHEMBL1583278 0.79 ERN1 (0.40) MAPTSERPINE1NT5E
SCHEMBL3694356 0.78 ADORA3 (0.41) ADORA2BADORA2ASERPINE1KDM4E
SCHEMBL3685509 0.78 PIK3CA (0.38) MEN1MAPTCRHBPMAPK1KMT2A
SCHEMBL3648323 0.78 SERPINE1 (0.33) SERPINE1
SCHEMBL3643173 0.77 SERPINE1 (0.33) SERPINE1
SCHEMBL3699955 0.72 ERN1 (0.34) MAPK1L3MBTL1KDM4EALDH1A1

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 LRRK2 1380/4885MEN1 4257/4885MAPT 1692/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 LRRK2 1380/4885MEN1 4257/4885MAPT 1692/4885

“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.