SCHEMBL9722794

SCHEMBL9722794

COC(=O)c1sc2c(c1N)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.50
KDM4E B2RXH2 9/20 0.50
MAPT P10636 8/20 0.49
HSD17B10 Q99714 8/20 0.49
HPGD P15428 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 5/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL2803645 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9139444 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL18779912 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL13631325 0.81 KDM4E (0.51) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL14810302 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL15387455 0.79 PKM (0.49) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9599100 0.78 ADORA1 (0.42) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL9138216 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHSD17B10HPGD
Hydrochloric Acid SCHEMBL9425711 0.77 ADORA1 (0.43) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL22392265 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 WO disclosed
EP-2786998-B1 THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-07-25 EP disclosed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-9045491-B2 Thienyl [3,2-D] pyrimidin-4-one compounds, preparation method, pharmaceutical compositions and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-02 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US disclosed
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-30 US disclosed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP 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-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 ALDH1A1 2232/4885KDM4E 848/4885MAPT 1156/4885
US-20140323466-A1 THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF DPP4, DPP7, DPP3 ALDH1A1 818/4885KDM4E 1389/4885MAPT 4003/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 ALDH1A1 2232/4885KDM4E 848/4885MAPT 1156/4885

“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.