SCHEMBL1920346

SCHEMBL1920346

C=COCCONC(=O)c1c(Nc2ccc(I)cc2F)c2nnccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.46
PIM1 P11309 1/20 0.45
CAMK2B Q13554 1/20 0.45
MAP2K2 P36507 3/20 0.45
MAP2K5 Q13163 1/20 0.45
EIF2AK1 Q9BQI3 1/20 0.45
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1921711 0.89 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1CYP2C9
SCHEMBL1920441 0.85 MAP2K1 (0.53) MAP2K1PIM1CAMK2BMAP2K2MAP2K5
SCHEMBL3775612 0.80 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5
SCHEMBL1921202 0.79 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL388536 0.77 MAP2K1 (0.50) MAP2K1PIM1CAMK2BMAP2K2MAP2K5
SCHEMBL1920179 0.75 MAP2K1 (0.50) MAP2K1PIM1CAMK2BMAP2K2CYP2C9
SCHEMBL1920355 0.74 MAP2K1 (0.47) MAP2K1PIM1CAMK2BMAP2K2MAP2K5
SCHEMBL4857471 0.74 MAP2K1 (0.76) MAP2K1PIM1CAMK2BMAP2K2MAP2K5
SCHEMBL12601243 0.74 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL12533971 0.74 MAP2K1 (0.49) MAP2K1PIM1CAMK2BMAP2K2CYP2C9

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 24/4885PIM1 508/4885CAMK2B 1258/4885

“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.