Sugi Predict

Sugi Predict / Compounds / SCHEMBL1920033

SCHEMBL1920033

SCHEMBL1920033

CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cncc(F)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 4/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ BRAF P15056 1/20 0.33
▸ EIF2AK3 Q9NZJ5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TP53 P04637 2/20 0.32

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
SCHEMBL1920604 0.93 MAP2K1 (0.36) MAP2K1MAP2K2TSHRTHRBPKM
SCHEMBL1920828 0.88 MAP2K1 (0.51) MAP2K1MAP2K2TSHRKCNH2CYP2C9
SCHEMBL1922039 0.86 PKM (0.41) MAP2K1MAP2K2TSHRTHRBPKM
SCHEMBL1920806 0.80 MAP2K1 (0.49) MAP2K1MAP2K2KCNH2CYP2C9CYP2C19
SCHEMBL2565520 0.79 MAP2K1 (0.52) MAP2K1MAP2K2THRBBRAFEIF2AK3
SCHEMBL1215366 0.79 DHODH (0.38) MAP2K1MAP2K2THRBBRAFEIF2AK3
SCHEMBL1920154 0.78 MAPT (0.37) MAP2K1MAP2K2TSHRTHRBSMN1; SMN2
SCHEMBL1920479 0.77 PKM (0.38) MAP2K1MAP2K2TSHRTHRBPKM
SCHEMBL2565971 0.76 MAP2K1 (0.45) MAP2K1MAP2K2THRBBRAFEIF2AK3
SCHEMBL2569311 0.76 MAP2K1 (0.45) MAP2K1THRBBRAFEIF2AK3MAPT

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
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
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 — — EP 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 24/4885MAP2K2 16/4885TSHR 4268/4885

“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.