SCHEMBL6102580

SCHEMBL6102580

CCCc1c(Cn2ccnc2-c2cccc(S(C)(=O)=O)c2)nc2ccc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.37
▸ KCNH2 Q12809 9/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ DYRK3 O43781 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ NR1H2 P55055 3/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL6101505 0.83 CTSS (0.37) CTSSCTSKDYRK3CCNT1CCNA2
SCHEMBL6101749 0.83 DYRK1A (0.46) KCNH2CTSSCTSKDYRK3CCNT1
SCHEMBL6101640 0.81 MAPK14 (0.31) BRD4
SCHEMBL6102802 0.81 LMNA (0.31) KCNH2
SCHEMBL6101630 0.80 LMNA (0.32) KCNH2
SCHEMBL6101609 0.80 TGFBR1 (0.35) CCNA2CDK2CDK5DYRK1ACDK5R1
SCHEMBL6101761 0.79 KCNH2 (0.31) KCNH2
SCHEMBL6498026 0.78 KCNH2 (0.31) KCNH2
SCHEMBL6100424 0.78 ALDH1A1 (0.37) DYRK3CCNT1CCNA2CDK2CDK9
SCHEMBL6102685 0.78 ADORA2A (0.34) KCNH2BRD4

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 JAK2 602/4885KCNH2 566/4885CTSS 4091/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 JAK2 136/4885KCNH2 1618/4885CTSS 1092/4885

“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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