SCHEMBL1920341

SCHEMBL1920341

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
ELANE P08246 2/20 0.38
P2RY12 Q9H244 1/20 0.38
BRAF P15056 2/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR3 Q99500 1/20 0.36
TP53 P04637 1/20 0.36
PHGDH O43175 1/20 0.36
TSHR P16473 2/20 0.35
MAP4K4 O95819 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
FLT1 P17948 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
SCHEMBL1922052 0.87 GAA (0.44) SRCELANEBRAFEIF2AK3ALDH1A1
SCHEMBL1920146 0.87 MEN1 (0.39) SRCALDH1A1SMN1; SMN2PHGDHMEN1
SCHEMBL1920648 0.82 MAP2K1 (0.42) FLT1KDRCYP2C9CYP2C19
SCHEMBL1919962 0.78 MAP2K1 (0.47) ELANEPKMKMT2AMAPTNPC1
SCHEMBL1920042 0.78 MAP2K1 (0.50) ELANEPKMCYP2C9CYP2C19
SCHEMBL1922039 0.77 PKM (0.41) ELANEBRAFEIF2AK3PKMSMN1; SMN2
SCHEMBL1921170 0.75 ELANE (0.41) ELANEBRAFEIF2AK3PKMTSHR
SCHEMBL1921034 0.72 ALDH1A1 (0.40) ELANEALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL1920349 0.71 ELANE (0.49) ELANEALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL4337480 0.71 MAP4K4 (0.48) SRCELANEBRAFEIF2AK3ALDH1A1

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 11 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
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
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 SRC 575/4885ELANE 910/4885P2RY12 2375/4885

“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.