SCHEMBL2294877

SCHEMBL2294877

CCOC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2)c1Nc1ccc(I)cc1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.60
GAA P10253 1/20 0.55
ADORA1 P30542 8/20 0.53
PDE5A O76074 1/20 0.46
MAP2K2 P36507 1/20 0.45
MAP2K1 Q02750 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1580149 0.90 PDE5A (0.49) PDE4BGAAADORA1PDE5AMAP2K2
SCHEMBL1580444 0.83 MAP2K1 (0.50) PDE4BADORA1MAP2K2MAP2K1
SCHEMBL1580581 0.83 MAP2K1 (0.49) PDE4BGAAADORA1PDE5AMAP2K2
SCHEMBL1580752 0.82 MAP2K1 (0.45) MAP2K2MAP2K1
SCHEMBL582892 0.81 PDE4B (0.70) PDE4BGAAADORA1PDE5AMAPT
SCHEMBL583328 0.79 GAA (0.74) PDE4BGAAADORA1MAPTSMN1; SMN2
SCHEMBL582644 0.77 PDE4B (0.60) PDE4BGAAADORA1PDE5AMAPT
SCHEMBL587425 0.77 PDE4B (0.60) PDE4BGAAADORA1PDE5AMAPT
SCHEMBL583379 0.76 PDE4B (0.74) PDE4BGAAADORA1
SCHEMBL6324607 0.75 MAP2K1 (0.52) PDE4BGAAADORA1MAP2K2MAP2K1

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-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-8841462-B2 Bicyclic heterocycles as MEK kinase inhibitors GENENTECH, INC. 2014-09-23 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 PDE4B 1512/4885GAA 4093/4885ADORA1 4555/4885

“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.