SCHEMBL6101986

SCHEMBL6101986

CCc1c(Cn2ccnc2-c2cccc(F)n2)nn2ccc(C)nc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL4155496 0.80 PDE10A (0.31) —
SCHEMBL8353835 0.80 TLR8 (0.38) —
SCHEMBL6101905 0.76 KDR (0.36) BRD4PTGDR2
SCHEMBL6101928 0.76 BRD4 (0.34) BRD4TGFBR1TGFBR2
SCHEMBL6099817 0.76 ADORA3 (0.31) —
SCHEMBL14621306 0.75 — —
SCHEMBL6099356 0.75 PTGS2 (0.39) BRD4PTGDR2
SCHEMBL4766211 0.75 — —
SCHEMBL4773137 0.73 BRD4 (0.32) BRD4TGFBR1TGFBR2
SCHEMBL4160260 0.73 BRD4 (0.34) BRD4TGFBR1TGFBR2PIK3CAPIK3CG

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 2 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

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 BRD4 511/4885TGFBR1 573/4885TGFBR2 491/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 BRD4 2873/4885TGFBR1 1869/4885TGFBR2 1382/4885

“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.

Send feedback