SCHEMBL1980309

SCHEMBL1980309

O=C(O)c1cc2ccncn2c1Nc1ccc(I)cc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.55
KCNH2 Q12809 4/20 0.53
MAP2K2 P36507 7/20 0.49
IDO1 P14902 1/20 0.49
CYP2C9 P11712 1/20 0.48
PRKCZ Q05513 1/20 0.41
IARS2 Q9NSE4 1/20 0.41
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 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
SCHEMBL1978526 0.88 KCNH2 (0.53) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL1976123 0.84 MAP2K1 (0.54) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL1615638 0.84 KCNH2 (0.69) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL29781392 0.84 KCNH2 (0.69) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL1980901 0.84 MAP2K1 (0.43) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL1977193 0.82 KCNH2 (0.77) MAP2K1KCNH2MAP2K2CYP2C9
SCHEMBL1615830 0.82 CYP2C9 (0.69) MAP2K1KCNH2MAP2K2IDO1CYP2C9
SCHEMBL12589902 0.80 KCNH2 (0.70) MAP2K1KCNH2MAP2K2CYP2C9
SCHEMBL12589903 0.80 KCNH2 (0.56) MAP2K1KCNH2MAP2K2CYP2C9PRKCZ
Trifluoroacetic Acid SCHEMBL29781329 0.80 KCNH2 (0.64) MAP2K1KCNH2MAP2K2IDO1CYP2C9

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 19/4885KCNH2 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.