SCHEMBL6101749

SCHEMBL6101749

CCCc1c(Cn2ccnc2-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.46
▸ DYRK2 Q92630 7/20 0.46
▸ DYRK1B Q9Y463 5/20 0.46
▸ CCNA2 P20248 4/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ CDK5 Q00535 4/20 0.46
▸ CDK5R1 Q15078 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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 0.84 CTSS (0.37) DYRK1ADYRK2DYRK1BCCNA2CDK2
SCHEMBL6101609 0.84 TGFBR1 (0.35) DYRK1ADYRK2DYRK1BCCNA2CDK2
SCHEMBL6101640 0.84 MAPK14 (0.31) —
SCHEMBL6102580 0.83 JAK2 (0.37) DYRK1ADYRK2DYRK1BCCNA2CDK2
SCHEMBL6102551 0.83 DYRK1A (0.36) DYRK1ADYRK2DYRK1BCCNA2CDK2
SCHEMBL6100615 0.82 HSD11B1 (0.35) TLR8CTSSCTSK
SCHEMBL6101761 0.82 KCNH2 (0.31) KCNH2
SCHEMBL6102802 0.81 LMNA (0.31) KCNH2
SCHEMBL6101630 0.81 LMNA (0.32) KCNH2
SCHEMBL6498026 0.81 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 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 DYRK1A 1692/4885DYRK2 1003/4885DYRK1B 1347/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 DYRK1A 2440/4885DYRK2 1838/4885DYRK1B 2604/4885

“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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