SCHEMBL6100860

SCHEMBL6100860

CCc1c(Cn2ccnc2-c2ncccn2)nc2ccc(C(C)=O)nn12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ RET P07949 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ MAP2K2 P36507 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ GSK3A P49840 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
SCHEMBL6101453 0.84 AGTR2 (0.38) —
SCHEMBL6102611 0.83 LMNA (0.33) DYRK1BL3MBTL1
SCHEMBL6099272 0.80 USP1 (0.31) AKT1AKT2
SCHEMBL6102456 0.80 ALPG (0.33) AKT1AKT2AURKADAPK3JAK2
SCHEMBL6101729 0.79 PDE4A (0.39) PDE4A
SCHEMBL6101979 0.78 PDE10A (0.33) —
SCHEMBL6102062 0.76 PDE10A (0.33) —
SCHEMBL6101630 0.75 LMNA (0.32) L3MBTL1
SCHEMBL6102709 0.74 KCNH2 (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL6102850 0.74 PDE10A (0.31) —

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 AKT1 4359/4885AKT2 3431/4885PDE4A 2291/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 AKT1 1563/4885AKT2 959/4885PDE4A 2113/4885

“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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