SCHEMBL1920450

SCHEMBL1920450

CCOC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.42
MAP2K2 P36507 1/20 0.42
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
UCHL1 P09936 1/20 0.38
P2RX7 Q99572 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL1920446 0.94 MAP2K1 (0.42) MAP2K1MAP2K2MAPTPOLBKDM4E
SCHEMBL12533921 0.93 MAPT (0.44) MAP2K1MAP2K2MAPTPOLBKDM4E
SCHEMBL12534030 0.93 MAP2K1 (0.44) MAP2K1MAP2K2MAPTKDM4ECYP2C9
SCHEMBL13015164 0.91 MAP2K1 (0.43) MAP2K1MAP2K2MAPTKDM4ELMNA
SCHEMBL1920339 0.90 MAP2K1 (0.42) MAP2K1MAP2K2MAPTPOLBKDM4E
SCHEMBL12533918 0.90 MAP2K1 (0.41) MAP2K1MAP2K2MAPTKDM4ECYP2C9
SCHEMBL12534000 0.90 MAP2K1 (0.44) MAP2K1MAP2K2MAPTPOLBCYP2C9
SCHEMBL1920301 0.89 MAP2K1 (0.47) MAP2K1MAP2K2CYP2C9CYP2C19
SCHEMBL12533911 0.89 MAP2K1 (0.41) MAP2K1MAP2K2MAPTKDM4ECYP2C9
SCHEMBL12534021 0.89 MAP2K1 (0.43) MAP2K1MAP2K2MAPTKDM4ELMNA

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
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
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 24/4885MAP2K2 16/4885MAPT 4374/4885

“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.