SCHEMBL12423787

SCHEMBL12423787

O=C(NOCCO)c1cc(F)c2cnsc2c1Nc1ccc(Br)cc1F

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.65
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
MAP2K2 P36507 4/20 0.56
ABCB11 O95342 1/20 0.56
NQO2 P16083 1/20 0.56
KCNH2 Q12809 1/20 0.47
SMC2 O95347 1/20 0.47
EGFR P00533 1/20 0.47
CSNK2A2 P19784 1/20 0.47
SMC1A Q14683 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
Q6ZSR9 Q6ZSR9 1/20 0.47
BMP2K Q9NSY1 1/20 0.47

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
SCHEMBL12423800 0.93 MAP2K1 (0.67) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL2293700 0.89 MAP2K1 (0.80) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423789 0.83 MAP2K1 (0.61) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423794 0.83 MAP2K1 (0.61) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423795 0.82 MAP2K1 (0.74) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL12423783 0.80 MAP2K1 (0.77) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL4752120 0.79 MAP2K1 (1.00) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15130135 0.79 MAP2K1 (0.67) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL1579947 0.79 MAP2K1 (1.00) MAP2K1CYP2C9CYP2C19CYP3A4MAP2K2
SCHEMBL1578632 0.78 MAP2K1 (0.64) 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 3 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-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.