SCHEMBL1920554

SCHEMBL1920554

CCOC(=O)c1c(O)c2nnccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 5/20 0.40
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1920942 0.78 KDM4E (0.44) ALDH1A1MAPTGAAKDM4ECA12
SCHEMBL1922172 0.77 ADORA1 (0.37) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL1920349 0.76 ELANE (0.49) ALDH1A1MAPTGAAKDM4ECA12
SCHEMBL1921202 0.72 MAP2K1 (0.50)
SCHEMBL1920479 0.72 PKM (0.38) ALDH1A1MAPTKDM4ELMNARXFP1
SCHEMBL9867870 0.71 ALDH1A1 (0.68) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL23905755 0.69 CA12 (0.53) ALDH1A1MAPTCA12CA1CA2
SCHEMBL8841223 0.69 KMT2A (0.48) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL23931459 0.69 GAA (0.45) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL31316179 0.67 TSHR (0.52) ALDH1A1MAPTKDM4ECA12CA1

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 ALDH1A1 1224/4885MAPT 4374/4885GAA 2671/4885

“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.