SCHEMBL1978526

SCHEMBL1978526

COC(=O)c1cc2ccncn2c1Nc1ccc(I)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
CYP2C9 P11712 1/20 0.48
MAP2K1 Q02750 14/20 0.44
MAP2K2 P36507 6/20 0.41
PRKCZ Q05513 1/20 0.40
IARS2 Q9NSE4 1/20 0.40
IDO1 P14902 1/20 0.40
MAP2K5 Q13163 1/20 0.39
EIF2AK1 Q9BQI3 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
SCHEMBL1976123 0.90 MAP2K1 (0.54) KCNH2CYP2C9MAP2K1MAP2K2PRKCZ
SCHEMBL1980309 0.88 MAP2K1 (0.55) KCNH2CYP2C9MAP2K1MAP2K2PRKCZ
SCHEMBL1977219 0.85 MAP2K2 (0.41) KCNH2CYP2C9MAP2K1MAP2K2
SCHEMBL1615474 0.85 KCNH2 (0.68) KCNH2CYP2C9MAP2K1MAP2K2IDO1
SCHEMBL1615911 0.83 CYP2C9 (0.68) KCNH2CYP2C9MAP2K1MAP2K2IDO1
SCHEMBL1977193 0.81 KCNH2 (0.77) KCNH2CYP2C9MAP2K1MAP2K2MAP2K5
SCHEMBL12589903 0.81 KCNH2 (0.56) KCNH2CYP2C9MAP2K1MAP2K2PRKCZ
SCHEMBL12589902 0.81 KCNH2 (0.70) KCNH2CYP2C9MAP2K1MAP2K2MAP2K5
Trifluoroacetic Acid SCHEMBL30185624 0.80 KCNH2 (0.62) KCNH2CYP2C9MAP2K1MAP2K2IDO1
SCHEMBL23694582 0.79 CYP2C9 (0.56) KCNH2CYP2C9MAP2K1MAP2K2IDO1

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
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
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

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 KCNH2 2385/4885CYP2C9 3114/4885MAP2K1 19/4885

“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.