SCHEMBL4497686

SCHEMBL4497686

Fc1ccc(N2CCc3c(Cl)ncnc32)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
GRM5 P41594 5/20 0.35
GPR119 Q8TDV5 2/20 0.34
APP P05067 1/20 0.34
DHFR P00374 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
P2RX7 Q99572 1/20 0.32
GRM3 Q14832 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ROCK1 Q13464 2/20 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
SCHEMBL4488064 0.81 GPR119 (0.50) HTTGRM5GPR119
SCHEMBL4496039 0.80 HTT (0.35) HTTGPR119HTR2AHTR2CHTR2B
SCHEMBL12170572 0.77 EIF4E (0.46) HTTGRM5GPR119EIF4EMKNK1
SCHEMBL4492509 0.69 HTT (0.40) HTTGPR119APPHTR2AHTR2C
SCHEMBL4491806 0.69 GPR119 (0.37) HTTGPR119APPHTR2AHTR2C
SCHEMBL4503148 0.67 HTT (0.36) HTTGPR119HTR2AHTR2CHTR2B
SCHEMBL4479394 0.66 CYP1A2 (0.38) HTTGPR119APPHTR2AHTR2C
SCHEMBL4494380 0.66 ALDH1A1 (0.39) HTTGPR119EIF4EMKNK1MKNK2
SCHEMBL375962 0.65 GPR119 (0.61) GPR119
SCHEMBL4502152 0.65 P2RX7 (0.38) HTTHTR2AHTR2CHTR2BP2RX7

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-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HTT 3112/4885GRM5 1539/4885GPR119 48/4885
US-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 HTT 2135/4885GRM5 1573/4885GPR119 1/4885

“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.