SCHEMBL2297775

SCHEMBL2297775

O=C(NOCCO)c1ccc2cnsc2c1Nc1ccc(I)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 1.00
CYP2C9 P11712 3/20 1.00
CYP2C19 P33261 2/20 1.00
CYP3A4 P08684 1/20 1.00
MAP2K2 P36507 1/20 0.68
KCNH2 Q12809 2/20 0.60
PIM1 P11309 1/20 0.55
CAMK2B Q13554 1/20 0.55

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
SCHEMBL2293700 0.89 MAP2K1 (0.80) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL1579418 0.89 MAP2K1 (0.79) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL2296997 0.88 MAP2K1 (1.00) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423797 0.86 MAP2K1 (0.76) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423786 0.86 MAP2K1 (0.76) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL2295918 0.86 MAP2K1 (0.75) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423804 0.86 MAP2K1 (0.75) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL1578638 0.82 MAP2K1 (0.69) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL4858053 0.81 MAP2K1 (1.00) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL29482205 0.81 MAP2K1 (1.00) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2

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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 US claimed
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 MAP2K1 11/4885CYP2C9 2474/4885CYP2C19 1711/4885

“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.