SCHEMBL16050671

SCHEMBL16050671

[c]1cnn(Cc2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
DRD4 P21917 7/20 0.38
DRD3 P35462 4/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD5 P21918 2/20 0.36
DRD2 P14416 2/20 0.36
POLB P06746 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL10648832 0.73 HTT (0.43) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL14833178 0.71 CYP19A1 (0.53) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL16051078 0.71 SLC6A3 (0.31)
SCHEMBL14804461 0.70 KDM5B (0.48) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL317052 0.69 CYP19A1 (0.50) L3MBTL1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL12068739 0.69 HTT (0.44) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL15417776 0.69 L3MBTL1 (0.44) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL28238594 0.69 MAPT (0.50) HTTL3MBTL1TSHRKDM4EDRD4
SCHEMBL16050493 0.68 DAO (0.45)
SCHEMBL16050368 0.68 KDM4E (0.43) L3MBTL1KDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
CN-114007671-B Methods and compositions for treating chronic inflammatory lesions, metaplasias, dysplasias, and cancers of epithelial tissue 休斯敦大学体系 2024-06-14 CN disclosed
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP disclosed
CN-114007671-A Methods and compositions for treating chronic inflammatory injury, metaplasia, dysplasia and cancer of epithelial tissue 休斯敦大学体系 2022-02-01 CN disclosed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN disclosed
WO-2020219963-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-10-29 WO disclosed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US disclosed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 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 (3 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B HTT 1874/4885L3MBTL1 2420/4885TSHR 4550/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B HTT 1874/4885L3MBTL1 2420/4885TSHR 4550/4885
US-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 HTT 4764/4885L3MBTL1 3774/4885TSHR 3808/4885

“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.