SCHEMBL1920358

SCHEMBL1920358

COc1ccc(CNc2ccncc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ VNN1 O95497 2/20 0.46
▸ DYRK1A Q13627 3/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ NOD2 Q9HC29 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ASPH Q12797 1/20 0.43
▸ RIOX2 Q8IUF8 1/20 0.43
▸ KDM8 Q8N371 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
SCHEMBL4791564 0.81 KDM4C (0.60) TSHRCLK4HSD17B10ALDH1A1TP53
SCHEMBL31519277 0.80 TSHR (0.69) CYP19A1TSHRNPC1KDM4EHPGD
SCHEMBL21617379 0.78 NPC1 (0.49) CYP19A1TSHRNPC1VNN1DYRK1A
SCHEMBL32669328 0.77 EGFR (0.51) TSHRNPC1VNN1CLK4HPGD
SCHEMBL28865569 0.77 PDE5A (0.54) TSHRNPC1VNN1DYRK1ACLK4
SCHEMBL6088288 0.76 NPC1 (0.49) TSHRNPC1VNN1DYRK1ACLK4
SCHEMBL14195206 0.75 KDM4E (0.62) VNN1NOD2KDM4EALDH1A1GAA
SCHEMBL23598634 0.74 NPC1 (0.47) TSHRNPC1VNN1KDM4EHPGD
SCHEMBL32669370 0.74 PDE5A (0.51) TSHRNPC1VNN1DYRK1ACLK4
SCHEMBL13181807 0.74 TSHR (0.48) CYP19A1TSHRNPC1DYRK1ACLK4

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 11 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
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
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
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 CYP19A1 433/4885TSHR 4268/4885NPC1 4217/4885

“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.

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