SCHEMBL1920782

SCHEMBL1920782

CCOC(=O)c1[nH]c2ccncc2c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.64
ALDH1A1 P00352 8/20 0.64
NPC1 O15118 3/20 0.64
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 1/20 0.64
HPGD P15428 6/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM5A P29375 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
HTR6 P50406 2/20 0.48
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44

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
SCHEMBL30745640 0.84 KDM5A (0.49) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL3119432 0.81 KDM5A (0.55) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL4332747 0.80 KDM4E (0.70) KDM4EALDH1A1NPC1MAPTGAA
Hydrochloric Acid SCHEMBL8801503 0.79 KDM4E (0.68) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL28746471 0.79 KDM4E (0.82) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL13298472 0.76 ALDH1A1 (0.53) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL31682820 0.76 ALDH1A1 (0.76) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL21917574 0.76 KDM5A (0.58) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL1874956 0.76 KDM5A (0.58) KDM4EALDH1A1NPC1MAPTGAA
SCHEMBL14174305 0.76 ALDH1A1 (0.76) KDM4EALDH1A1NPC1MAPTGAA

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 14 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
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 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 KDM4E 270/4885ALDH1A1 1224/4885NPC1 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.