SCHEMBL1920571

SCHEMBL1920571

COC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1CCO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.43
KCNH2 Q12809 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAP2K2 P36507 6/20 0.38
PRKCZ Q05513 1/20 0.38
IARS2 Q9NSE4 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
SCHEMBL3775286 0.93 MAP2K1 (0.45) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920250 0.92 MAP2K1 (0.45) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920615 0.89 MAP2K1 (0.34) MAP2K1KCNH2CYP2C9CYP2C19
SCHEMBL1920713 0.88 MAP2K1 (0.42) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920355 0.85 MAP2K1 (0.47) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920567 0.83 MAP2K1 (0.46) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL12534085 0.82 MAP2K1 (0.48) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920446 0.80 MAP2K1 (0.42) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL13015239 0.79 MAP2K1 (0.62) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920301 0.78 MAP2K1 (0.47) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2

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 7 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
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
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 24/4885KCNH2 2969/4885CYP2C9 2527/4885

“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.