SCHEMBL12533944

SCHEMBL12533944

Cn1c(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c2cncc(Cl)c21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.59
CYP2C9 P11712 3/20 0.55
KCNH2 Q12809 3/20 0.55
CYP2C19 P33261 2/20 0.55
MAP2K2 P36507 3/20 0.54
MAP2K5 Q13163 1/20 0.53
EIF2AK1 Q9BQI3 1/20 0.53
CYP3A4 P08684 1/20 0.51

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
SCHEMBL12533943 0.92 MAP2K1 (0.59) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533735 0.90 MAP2K1 (0.58) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL13015116 0.90 MAP2K1 (0.57) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL13015114 0.89 MAP2K1 (0.57) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL13015129 0.89 MAP2K1 (0.56) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533797 0.87 MAP2K1 (0.55) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12534096 0.85 MAP2K1 (0.51) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL1921105 0.84 MAP2K1 (0.66) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL1920806 0.84 MAP2K1 (0.49) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533737 0.83 MAP2K1 (0.64) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2

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 6 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
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 24/4885CYP2C9 2527/4885KCNH2 2969/4885

“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.