SCHEMBL1920996

SCHEMBL1920996

Cn1c(C(=O)NOC[C@H]2COC(C)(C)O2)c(Nc2ccc(I)cc2F)c2cnccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.48
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1920773 0.91 MAP2K1 (0.45) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL12533986 0.86 MAP2K1 (0.57) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL2563419 0.84 MAP2K1 (0.68) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL1218846 0.84 MAP2K1 (0.48) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL14199457 0.83 MAP2K1 (0.59) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL1218790 0.83 MAP2K1 (0.46) MAP2K1CYP2C9CYP2C19KCNH2MEN1
SCHEMBL2023262 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1
SCHEMBL2024343 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1
SCHEMBL2023048 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1
SCHEMBL13062517 0.82 MAP2K1 (0.57) MAP2K1CYP2C9CYP2C19KCNH2

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
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-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 24/4885CYP2C9 2527/4885CYP2C19 1810/4885

“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.