SCHEMBL6102336

SCHEMBL6102336

CCCc1c(Cn2ccnc2-c2ccccc2F)nc2ccc(Cl)nn12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL6100024 0.92 AXL (0.31) AXLFLT3MERTKKDM4EMEN1
SCHEMBL6102685 0.90 ADORA2A (0.34) AXLFLT3MERTKALDH1A1AGTR1
SCHEMBL6101761 0.89 KCNH2 (0.31) KCNH2
SCHEMBL6102849 0.88 KDM4E (0.36) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6100615 0.88 HSD11B1 (0.35) TLR8
SCHEMBL6101337 0.88 KCNH2 (0.32) KCNH2
SCHEMBL6103063 0.86 PPARG (0.35) AXLFLT3MERTKAGTR1AGTR2
SCHEMBL6101630 0.85 LMNA (0.32) KCNH2
SCHEMBL6102350 0.85 ABL1 (0.31) —
SCHEMBL6498026 0.85 KCNH2 (0.31) KCNH2

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 3 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
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 AXL 1119/4885FLT3 325/4885MERTK 1657/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 AXL 1313/4885FLT3 218/4885MERTK 422/4885

“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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