SCHEMBL1920479

SCHEMBL1920479

CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2nnccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
MAP2K1 Q02750 4/20 0.37
MAP2K2 P36507 1/20 0.37
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK14 Q16539 2/20 0.32
KDM4E B2RXH2 3/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
WDR5 P61964 1/20 0.31
SPR P35270 1/20 0.31

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
SCHEMBL1921202 0.88 MAP2K1 (0.50) MAP2K1MAP2K2TSHR
SCHEMBL1922039 0.83 PKM (0.41) PKMMAP2K1MAP2K2TSHRTHRB
SCHEMBL1920033 0.77 MAP2K1 (0.38) PKMMAP2K1MAP2K2TSHRTHRB
SCHEMBL1920604 0.75 MAP2K1 (0.36) PKMMAP2K1MAP2K2TSHRTHRB
SCHEMBL1920554 0.72 ALDH1A1 (0.43) PKMALDH1A1KDM4ERXFP1MAPT
SCHEMBL1920042 0.71 MAP2K1 (0.50) PKMMAP2K1MAP2K2
SCHEMBL1919962 0.71 MAP2K1 (0.47) PKMMAP2K1MAP2K2THRBNPC1
SCHEMBL1921823 0.70 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL14199433 0.69 BRAF (0.41) MAP2K1TSHRTHRBNPC1RAB9A
SCHEMBL1921170 0.69 ELANE (0.41) PKMMAP2K1MAP2K2TSHRMAPK14

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 PKM 2196/4885MAP2K1 24/4885MAP2K2 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.