SCHEMBL6920836

SCHEMBL6920836

Cn1cnc2cc(-c3nccs3)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
ACVR1 Q04771 2/20 0.44
SYK P43405 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 2/20 0.39
IP6K1 Q92551 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ADRB2 P07550 1/20 0.38
LRRK2 Q5S007 2/20 0.38
PDPK1 O15530 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL18815467 0.80 KDM4E (0.44) CHEK1ADRB2PDPK1LOXL2TGFBR1
SCHEMBL6921434 0.76 IP6K1 (0.52) ACVR1SYKL3MBTL1IP6K1ACVR1B
SCHEMBL2050804 0.74 GRM5 (0.43) ACVR1SYKL3MBTL1IP6K1
SCHEMBL16245329 0.74 IP6K1 (0.52) ACVR1SYKL3MBTL1IP6K1
SCHEMBL16245328 0.74 L3MBTL1 (0.36) ACVR1SYKL3MBTL1EGFRIP6K1
SCHEMBL6920812 0.72 SYK (0.50) ACVR1SYKL3MBTL1IP6K1TGFBR1
SCHEMBL2043063 0.72 RAB9A (0.59) L3MBTL1
SCHEMBL7600928 0.71 L3MBTL1 (0.49) CHEK1ACVR1L3MBTL1IP6K1
SCHEMBL15233506 0.71 NISCH (0.44) ACVR1SYK
Hydrochloric Acid SCHEMBL20742831 0.71 RAB9A (0.58) L3MBTL1

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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO 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 (1 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 CHEK1 3301/4885ACVR1 4208/4885SYK 3574/4885

“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.