Sugi Predict

Sugi Predict / Compounds / SCHEMBL1920446

SCHEMBL1920446

SCHEMBL1920446

COC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 8/20 0.42
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BUB1 O43683 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAP2K2 P36507 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37

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
SCHEMBL1920450 0.94 MAP2K1 (0.42) MAP2K1LMNACYP2C9CYP2C19KDM4E
SCHEMBL1920339 0.93 MAP2K1 (0.42) MAP2K1LMNACYP2C9CYP2C19KDM4E
SCHEMBL12534000 0.92 MAP2K1 (0.44) MAP2K1CYP2C9CYP2C19MAPTKCNH2
SCHEMBL1920559 0.89 LMNA (0.38) LMNACYP2C9CYP2C19KDM4ECYP1A2
SCHEMBL12533904 0.88 MAP2K1 (0.57) MAP2K1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL12533921 0.86 MAPT (0.44) MAP2K1LMNACYP2C9CYP2C19KDM4E
SCHEMBL12534030 0.85 MAP2K1 (0.44) MAP2K1CYP2C9CYP2C19KDM4EMAPT
SCHEMBL13015164 0.84 MAP2K1 (0.43) MAP2K1LMNAKDM4ETSHRMAPT
SCHEMBL12533918 0.83 MAP2K1 (0.41) MAP2K1CYP2C9CYP2C19KDM4EMAPT
SCHEMBL12533911 0.82 MAP2K1 (0.41) MAP2K1CYP2C9CYP2C19KDM4EMAPT

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 9 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-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
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 24/4885LMNA 1746/4885CYP2C9 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.