SCHEMBL1920604

SCHEMBL1920604

CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cncc(Cl)c2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
EIF2AK3 Q9NZJ5 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CLK1 P49759 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 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
SCHEMBL1920033 0.93 MAP2K1 (0.38) MAP2K1MAP2K2TP53TSHRMAPT
SCHEMBL1920806 0.88 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL1922039 0.84 PKM (0.41) MAP2K1MAP2K2TSHRMAPTTHRB
SCHEMBL2569311 0.81 MAP2K1 (0.45) MAP2K1TP53MAPTTHRBSRC
SCHEMBL1920828 0.80 MAP2K1 (0.51) MAP2K1MAP2K2TSHR
SCHEMBL1920037 0.80 TP53 (0.36) TP53MAPTTHRBSRCBRAF
SCHEMBL1215366 0.76 DHODH (0.38) MAP2K1MAP2K2MAPTTHRBBRAF
SCHEMBL2565520 0.76 MAP2K1 (0.52) MAP2K1MAP2K2MAPTTHRBBRAF
SCHEMBL1920479 0.75 PKM (0.38) MAP2K1MAP2K2TP53TSHRMAPT
SCHEMBL1920154 0.75 MAPT (0.37) MAP2K1MAP2K2TSHRMAPTTHRB

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
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
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP 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 16/4885TP53 219/4885

“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.