SCHEMBL8737468

SCHEMBL8737468

Cc1ncc(C(C)C)c2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
PRKCI P41743 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
TAAR1 Q96RJ0 1/20 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
SCHEMBL8737717 0.85 PIK3C3 (0.40) AXLPRKCIPIK3C3TAAR1
SCHEMBL6127825 0.83 TSHR (0.33) AXLPRKCIPIK3C3
SCHEMBL8737516 0.81 BTK (0.36) AXLPRKCITAAR1
SCHEMBL8737415 0.79 AXL (0.47) AXLPRKCIPIK3C3
SCHEMBL26534104 0.76 AXL (0.37) AXLPRKCIPIK3C3
SCHEMBL26145364 0.76 AXL (0.44) AXLPRKCIPIK3C3
SCHEMBL8736950 0.74 TAAR1 (0.36) AXLPRKCITAAR1
SCHEMBL18999654 0.74 CCR8 (0.33) TAAR1
SCHEMBL25091485 0.73 GPR55 (0.35) AXLPRKCI
SCHEMBL26204680 0.72 HSP90AA1 (0.36)

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-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 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 (5 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-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4698/4885PRKCI 470/4885PIK3C3 4062/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4166/4885PRKCI 409/4885PIK3C3 3380/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4135/4885PRKCI 325/4885PIK3C3 1689/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4708/4885PRKCI 533/4885PIK3C3 4293/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AXL 4072/4885PRKCI 243/4885PIK3C3 1425/4885

“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.