SCHEMBL1920567

SCHEMBL1920567

CCOC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1CCOC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.46
MAP2K2 P36507 6/20 0.46
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRKCZ Q05513 1/20 0.39
IARS2 Q9NSE4 1/20 0.39
PTGER4 P35408 1/20 0.38
PIM1 P11309 1/20 0.37
CAMK2B Q13554 1/20 0.37
MAP2K5 Q13163 1/20 0.37
EIF2AK1 Q9BQI3 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
SCHEMBL1920301 0.90 MAP2K1 (0.47) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12533919 0.89 MAP2K1 (0.45) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12534085 0.89 MAP2K1 (0.48) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12533912 0.88 MAP2K1 (0.44) MAP2K1MAP2K2TSHRHSD17B10CYP2C9
SCHEMBL1920042 0.88 MAP2K1 (0.50) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12534030 0.87 MAP2K1 (0.44) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL1920713 0.86 MAP2K1 (0.42) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL1920993 0.86 MAP2K1 (0.44) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL13015163 0.86 MAP2K1 (0.43) MAP2K1MAP2K2CYP2C9CYP2C19KCNH2
SCHEMBL12533921 0.86 MAPT (0.44) MAP2K1MAP2K2TSHRCYP2C9CYP2C19

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
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
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 24/4885MAP2K2 16/4885GAA 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.