SCHEMBL12533971

SCHEMBL12533971

C#CCn1c(C(=O)NOCCOC=C)c(Nc2ccc(I)cc2F)c2cnccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.49
CYP2C9 P11712 3/20 0.44
KCNH2 Q12809 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.41
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
MAP2K2 P36507 1/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL1920638 0.90 MAP2K1 (0.61) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4
SCHEMBL1920441 0.87 MAP2K1 (0.53) MAP2K1CYP2C9KCNH2CYP2C19PIM1
SCHEMBL1920355 0.85 MAP2K1 (0.47) MAP2K1CYP2C9KCNH2CYP2C19PIM1
SCHEMBL1920179 0.84 MAP2K1 (0.50) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4
SCHEMBL12533922 0.83 MAP2K1 (0.43) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4
SCHEMBL1920094 0.83 MAP2K1 (0.44) MAP2K1CYP2C9KCNH2CYP2C19MAP2K2
SCHEMBL13062715 0.82 MAP2K1 (0.46) MAP2K1CYP2C9KCNH2CYP2C19PIM1
SCHEMBL13015213 0.81 MAP2K1 (0.60) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4
SCHEMBL1920993 0.80 MAP2K1 (0.44) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4
SCHEMBL1921825 0.80 MAP2K1 (0.65) MAP2K1CYP2C9KCNH2CYP2C19CYP3A4

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
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

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 24/4885CYP2C9 2527/4885KCNH2 2969/4885

“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.