SCHEMBL1976550

SCHEMBL1976550

CSc1ccc(Nc2c(C(=O)NOC[C@H](O)CO)cc3ccncn23)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.52
KCNH2 Q12809 3/20 0.46
MAP2K2 P36507 3/20 0.45
BRAF P15056 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL12590281 0.92 KCNH2 (0.55) MAP2K1KCNH2MAP2K2MAPK1MAP2K5
SCHEMBL1977165 0.88 KCNH2 (0.59) MAP2K1KCNH2MAP2K2MAP2K5CYP2C9
SCHEMBL1977779 0.87 MAP2K1 (0.66) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL9101063 0.87 MAP2K1 (0.43) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL9885440 0.87 KCNH2 (0.53) MAP2K1KCNH2MAP2K2MAP2K5CYP2C9
SCHEMBL12589905 0.85 MAP2K1 (0.49) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1976121 0.84 KCNH2 (0.47) MAP2K1KCNH2MAP2K2MAP2K5CYP2C9
SCHEMBL9885456 0.82 KCNH2 (0.46) MAP2K1KCNH2MAP2K2MAP2K5CYP2C9
SCHEMBL1977219 0.81 MAP2K2 (0.41) MAP2K1KCNH2MAP2K2MAPK1CYP2C9
SCHEMBL1980901 0.80 MAP2K1 (0.43) MAP2K1KCNH2MAP2K2MAPK1CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486963-B2 Azaindolizines and methods of use GENENTECH, INC. (US) 2013-07-16 US disclosed
US-20110142826-A1 AZAINDOLIZINES AND METHODS OF USE GENENTECH, INC. 2011-06-16 US disclosed
US-20110142826-A1 AZAINDOLIZINES AND METHODS OF USE GENENTECH, INC. 2011-06-16 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-20110142826-A1 AZAINDOLIZINES AND METHODS OF USE IKZF3, MKI67, CDKN1A MAP2K1 19/4885KCNH2 2385/4885MAP2K2 12/4885

“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.