SCHEMBL1920138

SCHEMBL1920138

C=COCCONC(=O)c1c(Nc2ccc(C3CC3)cc2F)c2cnccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.40
BRAF P15056 4/20 0.40
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAP2K2 P36507 2/20 0.34
ABCB11 O95342 1/20 0.34
NQO2 P16083 1/20 0.34
MAPK14 Q16539 1/20 0.33
MAP2K5 Q13163 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33

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
SCHEMBL13015127 0.90 MAP2K1 (0.49) MAP2K1BRAFCYP2C9CYP2C19KCNH2
SCHEMBL1920441 0.87 MAP2K1 (0.53) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2
SCHEMBL13015131 0.85 MAP2K1 (0.47) MAP2K1BRAFKCNH2
SCHEMBL1920655 0.82 DHODH (0.38) MAPK14
SCHEMBL1920179 0.81 MAP2K1 (0.50) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2
SCHEMBL1921206 0.81 MAP2K1 (0.38) MAP2K1BRAFCYP2C9CYP2C19KCNH2
SCHEMBL1921170 0.81 ELANE (0.41) MAP2K1BRAFKCNH2MAP2K2MAPK14
SCHEMBL13015135 0.80 MAP2K1 (0.49) MAP2K1BRAFCYP2C9CYP2C19KCNH2
SCHEMBL1971572 0.78 CYP2C9 (0.61) MAP2K1BRAFCYP2C9CYP2C19KCNH2
SCHEMBL22038728 0.77 MAP2K1 (0.53) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2

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
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI MAP2K1 24/4885BRAF 106/4885CYP2C9 2527/4885

“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.