SCHEMBL8737772

SCHEMBL8737772

Cc1cn(-c2cnc(C=O)c3cnoc23)cn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL8737670 0.83 PDE3B (0.34) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL6124675 0.81 CYP2E1 (0.34) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL10280850 0.75 CYP2E1 (0.38) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL8038597 0.74 CYP2E1 (0.35) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL6124235 0.71 CYP2E1 (0.35) CYP2E1CYP2A6EGLN2
SCHEMBL8028032 0.70 EED (0.39) CYP2E1CYP2A6EGLN2
SCHEMBL8737290 0.69 EED (0.39) CYP2E1CYP2A6EGLN2
SCHEMBL6124676 0.63 PSEN1 (0.33) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL9868208 0.62 EGLN2 (0.45) CYP2E1CYP2A6EGLN2PDE3BPDE3A
SCHEMBL7733899 0.62 ALDH1A1 (0.39) CYP2E1CYP2A6EGLN2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 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 (4 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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3713/4885CYP2A6 3007/4885EGLN2 3433/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 CYP2E1 4069/4885CYP2A6 2676/4885EGLN2 3187/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN CYP2E1 4343/4885CYP2A6 3937/4885EGLN2 3837/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3864/4885CYP2A6 3144/4885EGLN2 2812/4885

“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.