Sugi Predict

Sugi Predict / Compounds / SCHEMBL1920559

SCHEMBL1920559

SCHEMBL1920559

COC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PMP22 Q01453 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ BUB1 O43683 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ P2RX7 Q99572 3/20 0.36
▸ MAPT P10636 4/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1920446 0.89 MAP2K1 (0.42) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1920450 0.83 MAP2K1 (0.42) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1920339 0.82 MAP2K1 (0.42) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL12534000 0.82 MAP2K1 (0.44) CYP2C9CYP2C19MAPTPOLB
SCHEMBL1920615 0.80 MAP2K1 (0.34) CYP2C9CYP2C19KDM4EALDH1A1HPGD
SCHEMBL1920639 0.78 BRD4 (0.36) —
SCHEMBL12533904 0.78 MAP2K1 (0.57) CYP3A4CYP2C9CYP2C19
SCHEMBL1922039 0.76 PKM (0.41) TSHRBUB1SMN1; SMN2MAPTPKM
SCHEMBL1921027 0.75 KDM4E (0.45) LMNAKDM4EALDH1A1HPGDMAPK8
SCHEMBL12533921 0.75 MAPT (0.44) LMNACYP1A2CYP3A4CYP2C9TSHR

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 LMNA 1746/4885CYP1A2 1202/4885CYP3A4 2302/4885

“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.