SCHEMBL1919962

SCHEMBL1919962

CCOC(=O)c1c(Nc2ccc(Br)cc2F)c2cnccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
ELANE P08246 1/20 0.39
ABCB11 O95342 1/20 0.39
NQO2 P16083 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1920042 0.89 MAP2K1 (0.50) MAP2K1PKMELANEMAP2K2
SCHEMBL1922052 0.89 GAA (0.44) MAP2K1GAAPKMELANEMAP2K2
SCHEMBL1922039 0.88 PKM (0.41) MAP2K1PKMELANEMAP2K2MAPT
SCHEMBL1921170 0.85 ELANE (0.41) MAP2K1PKMELANEMAP2K2MAPT
SCHEMBL1216151 0.79 MAP2K1 (0.44) MAP2K1L3MBTL1GAAMAPTTHRB
SCHEMBL1920301 0.79 MAP2K1 (0.47) MAP2K1ELANEMAP2K2
SCHEMBL2567659 0.78 MAP2K1 (0.53) MAP2K1KMT2A
SCHEMBL1920341 0.78 SRC (0.41) GAAPKMELANEMAPTTHRB
SCHEMBL1216500 0.77 MAP2K1 (0.44) MAP2K1GAAMAPTTHRB
SCHEMBL1920567 0.77 MAP2K1 (0.46) MAP2K1GAAMAP2K2

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 9 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-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
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 24/4885L3MBTL1 3451/4885GAA 2671/4885

“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.