SCHEMBL6101186

SCHEMBL6101186

CCc1c(Cn2ccnc2-c2cc(F)ccc2F)nn2c(OC)cc(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.34
▸ GRM8 O00222 1/20 0.34
▸ GRM7 Q14831 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PDE2A O00408 5/20 0.33
▸ PDE10A Q9Y233 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ GPR4 P46093 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PLA2G2A P14555 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
SCHEMBL6099799 0.85 KDR (0.35) MAPTALDH1A1KDM4EPKMTHRB
SCHEMBL6496318 0.83 PANK1 (0.31) KDM4EPDE2A
SCHEMBL15009373 0.80 PDE4B (0.38) MAPTALDH1A1KDM4EPDE10AGAA
SCHEMBL4764022 0.76 AKT1 (0.30) ALDH1A1KDM4EPKM
SCHEMBL5781405 0.75 KDM4E (0.33) MAPTALDH1A1KDM4EPDE2APKM
SCHEMBL4768051 0.72 GABRG2 (0.30) —
SCHEMBL4767783 0.72 DPP4 (0.33) PDE2AKCNH2
SCHEMBL4762748 0.72 PDE2A (0.32) PDE2AKCNH2
SCHEMBL4762545 0.69 PDE2A (0.31) PDE2A
SCHEMBL6099730 0.68 CYP11B1 (0.33) ALDH1A1KDM4EPKMKCNH2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 — — US disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 — — EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 — — WO disclosed
US-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands NEUROGEN CORPORATION 2006-01-19 — — US disclosed
US-6936617-B2 Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands NEUROGEN CORPORATION (US) 2005-08-30 — — 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-20060014746-A1 Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands GABRA5, GABRA2, GABBR1 GRM4 94/4885GRM8 243/4885GRM7 148/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GRM4 65/4885GRM8 67/4885GRM7 61/4885

“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.

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