SCHEMBL17749869

SCHEMBL17749869

[N-]=[N+]=NCc1cncnc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL17080226 0.81 ATM (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14270167 0.75 CYP1A2 (0.47) ALDH1A1
SCHEMBL29845471 0.75 CYP1A2 (0.47) ALDH1A1
SCHEMBL14003487 0.74 KDM4E (0.33) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL18640987 0.74 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL14270175 0.73 LOXL2 (0.41) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL13623245 0.72 KAT2B (0.34) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL14189703 0.72 HDAC3 (0.45) KDM4EALDH1A1HDAC3HDAC1HDAC2
SCHEMBL15590852 0.71 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30095877 0.70 CYP11B1 (0.40)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 CN disclosed
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
CN-107207493-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2017-09-26 CN disclosed
EP-3218375-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed
WO-2016077378-A1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 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 (2 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 KDM4E 261/4885ALDH1A1 2006/4885HDAC3 22/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 KDM4E 261/4885ALDH1A1 2006/4885HDAC3 22/4885

“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.