SCHEMBL1920429

SCHEMBL1920429

C[C@H](O)CONC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.62
KCNH2 Q12809 2/20 0.55
MAP2K2 P36507 3/20 0.49
BRAF P15056 1/20 0.49
MAPK1 P28482 1/20 0.49
MAP2K5 Q13163 1/20 0.49

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
SCHEMBL12533985 1.00 MAP2K1 (0.62) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL13062517 0.94 MAP2K1 (0.57) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1920064 0.92 MAP2K1 (0.69) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL12534001 0.88 MAP2K1 (0.48) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL13062702 0.88 MAP2K1 (0.51) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1921105 0.88 MAP2K1 (0.66) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL1920171 0.87 MAP2K1 (0.52) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL13015285 0.87 MAP2K1 (0.68) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL13015131 0.87 MAP2K1 (0.47) MAP2K1KCNH2BRAFMAPK1
SCHEMBL12533986 0.85 MAP2K1 (0.57) MAP2K1KCNH2MAP2K2

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 24/4885KCNH2 2969/4885MAP2K2 16/4885

“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.