SCHEMBL1922039

SCHEMBL1922039

CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
ELANE P08246 2/20 0.39
BRAF P15056 3/20 0.38
EIF2AK3 Q9NZJ5 2/20 0.38
MAP2K1 Q02750 4/20 0.37
MAP2K2 P36507 1/20 0.37
TSHR P16473 2/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
BUB1 O43683 1/20 0.34
MAP4K4 O95819 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
SCHEMBL1919962 0.88 MAP2K1 (0.47) PKMELANEMAP2K1MAP2K2MAPT
SCHEMBL1920042 0.88 MAP2K1 (0.50) PKMELANEMAP2K1MAP2K2
SCHEMBL1920033 0.86 MAP2K1 (0.38) PKMBRAFEIF2AK3MAP2K1MAP2K2
SCHEMBL1921170 0.85 ELANE (0.41) PKMELANEBRAFEIF2AK3MAP2K1
SCHEMBL1920604 0.84 MAP2K1 (0.36) PKMBRAFEIF2AK3MAP2K1MAP2K2
SCHEMBL1920479 0.83 PKM (0.38) PKMMAP2K1MAP2K2TSHRMAPT
SCHEMBL2566055 0.79 MAP2K1 (0.53) BRAFEIF2AK3MAP2K1TSHRMAPT
SCHEMBL1922052 0.79 GAA (0.44) PKMELANEBRAFEIF2AK3MAP2K1
SCHEMBL1920337 0.79 MAPT (0.43) TSHRMAPTSMN1; SMN2
SCHEMBL1920301 0.78 MAP2K1 (0.47) ELANEMAP2K1MAP2K2

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 5 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

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 PKM 2196/4885ELANE 910/4885BRAF 106/4885

“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.