SCHEMBL2295504

SCHEMBL2295504

CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.81
MAP2K2 P36507 4/20 0.51
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
PIM1 P11309 1/20 0.48
CAMK2B Q13554 1/20 0.48
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
KCNH2 Q12809 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL1580265 0.89 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580459 0.87 MAP2K1 (0.74) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580687 0.87 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1579837 0.85 MAP2K1 (0.70) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580463 0.84 MAP2K1 (0.67) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL1580481 0.84 MAP2K1 (1.00) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580155 0.84 MAP2K1 (0.72) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580002 0.84 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL1580403 0.83 MAP2K1 (0.81) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL1580248 0.81 MAP2K1 (0.74) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4

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 7 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 claimed
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-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 11/4885MAP2K2 4/4885CYP2C9 2474/4885

“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.