SCHEMBL1500672

SCHEMBL1500672

CCCC[Sn](CCCC)(CCCC)c1cn(-c2cccnc2F)nn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 5/20 0.36
GRM5 P41594 3/20 0.36
RXRA P19793 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
NOTUM Q6P988 1/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL16652302 0.74 DPP4 (0.38) GRM1GRM5DPP4
SCHEMBL1763174 0.74 NOTUM (0.44) NOTUM
SCHEMBL1500117 0.74 GRM1 (0.46) GRM1GRM5
SCHEMBL1500677 0.73 MAPT (0.35)
SCHEMBL25184419 0.73 P2RX7 (0.36) RXRAGRIN1GRIN2BNOTUM
SCHEMBL12530221 0.72 BRD4 (0.48) GRM1GRM5RXRAGRIN1GRIN2B
SCHEMBL5935645 0.70 NAPRT (0.37)
SCHEMBL29792558 0.69 KLKB1 (0.33) NOTUM
SCHEMBL23088382 0.69 KLKB1 (0.33) NOTUM
SCHEMBL16753954 0.69 P2RX7 (0.41) NOTUM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 GRM1 2/4885GRM5 12/4885RXRA 1086/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 GRM1 3/4885GRM5 10/4885RXRA 1511/4885

“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.