SCHEMBL1920339

SCHEMBL1920339

COc1ccc(Cn2c(C(=O)O)c(Nc3ccc(I)cc3F)c3cnccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.42
TP53 P04637 6/20 0.40
MAP2K2 P36507 2/20 0.39
PRKCZ Q05513 1/20 0.39
IARS2 Q9NSE4 1/20 0.39
KDM4E B2RXH2 1/20 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
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
YWHAH Q04917 2/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 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
SCHEMBL1920446 0.93 MAP2K1 (0.42) MAP2K1TP53MAP2K2PRKCZIARS2
SCHEMBL12534000 0.92 MAP2K1 (0.44) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL1920450 0.90 MAP2K1 (0.42) MAP2K1TP53MAP2K2KDM4ELMNA
SCHEMBL12534026 0.89 MAP2K1 (0.44) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL12533904 0.88 MAP2K1 (0.57) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL13015164 0.82 MAP2K1 (0.43) MAP2K1MAP2K2KDM4ELMNATSHR
SCHEMBL12533921 0.82 MAPT (0.44) MAP2K1TP53MAP2K2PRKCZIARS2
SCHEMBL1920559 0.82 LMNA (0.38) TP53KDM4ELMNACYP1A2CYP3A4
SCHEMBL12534030 0.82 MAP2K1 (0.44) MAP2K1MAP2K2PRKCZIARS2KDM4E
SCHEMBL3777199 0.82 MAP2K1 (0.49) MAP2K1MAP2K2PRKCZIARS2CYP2C9

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 MAP2K1 24/4885TP53 219/4885MAP2K2 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.