SCHEMBL6100595

SCHEMBL6100595

CCCc1c(Cn2ccnc2-c2cncc(F)c2)nc2ccc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 18/20 0.37
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ DYRK3 O43781 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL6101640 0.85 MAPK14 (0.31) —
SCHEMBL6102350 0.83 ABL1 (0.31) —
SCHEMBL6101761 0.81 KCNH2 (0.31) —
SCHEMBL6102506 0.81 PDE10A (0.34) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL6101630 0.81 LMNA (0.32) —
SCHEMBL6102336 0.80 AXL (0.32) —
SCHEMBL6100424 0.80 ALDH1A1 (0.37) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL6498026 0.80 KCNH2 (0.31) —
SCHEMBL6101749 0.80 DYRK1A (0.46) DYRK3CCNA2CDK2CDK5DYRK1A
SCHEMBL6101337 0.80 KCNH2 (0.32) DYRK3CCNA2CDK2CDK5DYRK1A

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 TLR7 1465/4885CYP11B1 172/4885CYP11B2 108/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 TLR7 491/4885CYP11B1 4058/4885CYP11B2 3971/4885

“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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