SCHEMBL1922052

SCHEMBL1922052

CCOC(=O)c1c(Nc2ccc(Br)cc2Cl)c2cnccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
SRC P12931 1/20 0.42
ELANE P08246 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
BRAF P15056 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMC2 O95347 1/20 0.38
EGFR P00533 1/20 0.38
CSNK2A2 P19784 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 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
SCHEMBL1919962 0.89 MAP2K1 (0.47) GAAMAPTTHRBELANEKMT2A
SCHEMBL1920341 0.87 SRC (0.41) GAAMAPTTHRBSRCELANE
SCHEMBL13015240 0.82 MAP2K1 (0.55) KMT2AMEN1CTDSP1SMC2EGFR
SCHEMBL1920042 0.79 MAP2K1 (0.50) ELANEMAP2K2MAP2K1PKM
SCHEMBL1922039 0.79 PKM (0.41) MAPTTHRBELANEBRAFEIF2AK3
SCHEMBL2563156 0.78 BRAF (0.56) GAAMAPTTHRBSRCKMT2A
SCHEMBL1921170 0.76 ELANE (0.41) MAPTELANEBRAFEIF2AK3MAP2K2
SCHEMBL1921034 0.73 ALDH1A1 (0.40) GAAMAPTELANEKMT2AMEN1
SCHEMBL12533838 0.73 ELANE (0.39) MAPTELANEKMT2ABRAFEIF2AK3
SCHEMBL1920146 0.73 MEN1 (0.39) SRCKMT2AMEN1ALDH1A1CSNK2A2

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 GAA 2671/4885MAPT 4374/4885THRB 3638/4885

“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.