SCHEMBL1920441

SCHEMBL1920441

C=COCCONC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.53
KCNH2 Q12809 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
PIM1 P11309 1/20 0.45
CAMK2B Q13554 1/20 0.45
MAP2K2 P36507 2/20 0.45
MAP2K5 Q13163 1/20 0.45
EIF2AK1 Q9BQI3 1/20 0.45

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
SCHEMBL1921105 0.89 MAP2K1 (0.66) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920138 0.87 MAP2K1 (0.40) MAP2K1KCNH2CYP2C9CYP2C19PIM1
SCHEMBL1920179 0.87 MAP2K1 (0.50) MAP2K1KCNH2CYP2C9CYP2C19PIM1
SCHEMBL12533971 0.87 MAP2K1 (0.49) MAP2K1KCNH2CYP2C9CYP2C19PIM1
SCHEMBL1920355 0.87 MAP2K1 (0.47) MAP2K1KCNH2CYP2C9CYP2C19PIM1
SCHEMBL1920346 0.85 MAP2K1 (0.46) MAP2K1KCNH2CYP2C9CYP2C19PIM1
SCHEMBL13062517 0.85 MAP2K1 (0.57) MAP2K1KCNH2CYP2C9CYP2C19MAP2K2
SCHEMBL1920429 0.84 MAP2K1 (0.62) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL12533985 0.84 MAP2K1 (0.62) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL1920064 0.83 MAP2K1 (0.69) MAP2K1MAP2K2MAP2K5

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 7 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
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
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI MAP2K1 24/4885KCNH2 2969/4885CYP2C9 2527/4885

“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.