SCHEMBL1920512

SCHEMBL1920512

CSc1ccc(Nc2c(C(=O)NOCCO)n(C3CC3)c3ccncc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.47
CYP2C9 P11712 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2C19 P33261 2/20 0.42
MAP2K2 P36507 2/20 0.40
ABCB11 O95342 1/20 0.40
NQO2 P16083 1/20 0.40
CYP3A4 P08684 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
SCHEMBL1921206 0.90 MAP2K1 (0.38) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533858 0.89 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL13015132 0.89 MAP2K1 (0.45) MAP2K1KCNH2MAP2K2
SCHEMBL1920949 0.88 MAP2K1 (0.62) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL13015135 0.88 MAP2K1 (0.49) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533873 0.88 MAP2K1 (0.51) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL1919943 0.86 BRD4 (0.36) MAP2K1MAP2K2
SCHEMBL3777989 0.86 MAP2K2 (0.37) MAP2K1MAP2K2
SCHEMBL13015127 0.80 MAP2K1 (0.49) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL12533872 0.79 MAP2K1 (0.42) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2

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
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

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 2527/4885KCNH2 2969/4885

“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.