SCHEMBL1920648

SCHEMBL1920648

CC(C)c1ccc(Nc2c(C(=O)NOCCO)n(C)c3ccncc23)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.42
MAP2K2 P36507 2/20 0.42
SMC2 O95347 1/20 0.42
EGFR P00533 1/20 0.42
CSNK2A2 P19784 1/20 0.42
SMC1A Q14683 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
ABCB11 O95342 1/20 0.36
NQO2 P16083 1/20 0.36
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL13015240 0.88 MAP2K1 (0.55) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL12533777 0.88 MAP2K1 (0.53) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL12533872 0.86 MAP2K1 (0.42) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13015118 0.86 MAP2K1 (0.42) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL1920146 0.84 MEN1 (0.39) CSNK2A2CYP2C9FLT1KDR
SCHEMBL1920341 0.82 SRC (0.41) CYP2C9CYP2C19FLT1KDR
SCHEMBL22038728 0.81 MAP2K1 (0.53) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL1921105 0.80 MAP2K1 (0.66) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12533734 0.80 MAP2K1 (0.54) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12533769 0.79 MAP2K1 (0.57) MAP2K1MAP2K2

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 24/4885MAP2K2 16/4885SMC2 2737/4885

“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.