SCHEMBL1980901

SCHEMBL1980901

CSc1ccc(Nc2c(C(=O)O)cc3ccncn23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.43
MAP2K2 P36507 3/20 0.43
KCNH2 Q12809 4/20 0.38
MCL1 Q07820 1/20 0.36
CYP2C9 P11712 1/20 0.35
DHODH Q02127 3/20 0.34
NUDT1 P36639 1/20 0.34
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL1977219 0.90 MAP2K2 (0.41) MAP2K1MAP2K2KCNH2CYP2C9NUDT1
SCHEMBL1615873 0.85 KCNH2 (0.51) MAP2K1MAP2K2KCNH2MCL1CYP2C9
SCHEMBL1980309 0.84 MAP2K1 (0.55) MAP2K1MAP2K2KCNH2CYP2C9IDO1
SCHEMBL1977165 0.83 KCNH2 (0.59) MAP2K1MAP2K2KCNH2CYP2C9
SCHEMBL9885440 0.82 KCNH2 (0.53) MAP2K1MAP2K2KCNH2CYP2C9
SCHEMBL12590281 0.82 KCNH2 (0.55) MAP2K1MAP2K2KCNH2CYP2C9MAPK1
SCHEMBL1976550 0.80 MAP2K1 (0.52) MAP2K1MAP2K2KCNH2CYP2C9MAPK1
SCHEMBL1976121 0.80 KCNH2 (0.47) MAP2K1MAP2K2KCNH2CYP2C9
SCHEMBL9885456 0.78 KCNH2 (0.46) MAP2K1MAP2K2KCNH2CYP2C9
SCHEMBL1615188 0.77 KCNH2 (0.52) MAP2K1MAP2K2KCNH2CYP2C9IDO1

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 11 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 claimed
EP-2220092-B1 AZAINDOLIZINES AND METHODS OF USE GENENTECH INC (US) 2012-06-06 EP claimed
US-8486963-B2 Azaindolizines and methods of use GENENTECH, INC. (US) 2013-07-16 US disclosed
US-8486963-B2 Azaindolizines and methods of use GENENTECH, INC. (US) 2013-07-16 US disclosed
EP-2220092-B1 AZAINDOLIZINES AND METHODS OF USE GENENTECH INC (US) 2012-06-06 EP disclosed
EP-2220092-B1 AZAINDOLIZINES AND METHODS OF USE GENENTECH INC (US) 2012-06-06 EP 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
EP-2220092-A1 AZAINDOLIZINES AND METHODS OF USE Genentech, Inc. (US) 2010-08-25 EP disclosed
WO-2009082687-A1 AZAINDOLIZINES AND METHODS OF USE GENENTECH, INC. (US) 2009-07-02 WO disclosed
WO-2009082687-A1 AZAINDOLIZINES AND METHODS OF USE GENENTECH, INC. (US) 2009-07-02 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-20110142826-A1 AZAINDOLIZINES AND METHODS OF USE IKZF3, MKI67, CDKN1A MAP2K1 19/4885MAP2K2 12/4885KCNH2 2385/4885

“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.