SCHEMBL6102709

SCHEMBL6102709

CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(Oc3ccc(OC(F)(F)F)cc3)nn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.33
▸ PIM1 P11309 3/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CHRM5 P08912 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL6099272 0.80 USP1 (0.31) —
SCHEMBL6102152 0.80 PDE10A (0.34) KCNH2KDM4EPDE10ADYRK1A
SCHEMBL6099118 0.78 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6102062 0.78 PDE10A (0.33) PDE10A
SCHEMBL6102611 0.77 LMNA (0.33) LMNAL3MBTL1DYRK1A
SCHEMBL6102850 0.75 PDE10A (0.31) PDE10A
SCHEMBL6102427 0.74 PDE4B (0.31) PDE10A
SCHEMBL6100860 0.74 AKT1 (0.32) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL6101729 0.74 PDE4A (0.39) —
SCHEMBL6102160 0.73 PDE10A (0.31) KDM4EPDE10ADYRK1A

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-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

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 KCNH2 566/4885PIM1 3012/4885KDM4E 2625/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 KCNH2 1618/4885PIM1 3976/4885KDM4E 3317/4885

“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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