SCHEMBL6100424

SCHEMBL6100424

CCc1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDR P35968 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ BRD4 O60885 4/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33

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
SCHEMBL6484844 0.86 DYRK1A (0.36) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL6101410 0.86 CLK4 (0.35) ALDH1A1HSD17B10LMNAALOX15CYP1A2
SCHEMBL6102963 0.83 LMNA (0.32) LMNAL3MBTL1
SCHEMBL6102611 0.83 LMNA (0.33) HSD17B10LMNAL3MBTL1CCNA2CDK2
SCHEMBL6100024 0.82 AXL (0.31) ALDH1A1KDM4EMAPTLMNAL3MBTL1
SCHEMBL6102252 0.82 BRD4 (0.37) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL6102606 0.82 SLC2A1 (0.32) LMNAL3MBTL1CCNA2CDK2CDK5
SCHEMBL6101403 0.81 TRPA1 (0.39) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL6101749 0.81 DYRK1A (0.46) ALDH1A1KDM4EHSD17B10HPGDKDR
SCHEMBL6100595 0.80 TLR7 (0.37) CCNA2CDK2CDK5DYRK1ACDK5R1

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 ALDH1A1 797/4885KDM4E 2625/4885MAPT 2174/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 ALDH1A1 1701/4885KDM4E 3317/4885MAPT 907/4885

“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