SCHEMBL17837166

SCHEMBL17837166

COC(=O)c1ccsc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 5/20 0.45
RXFP1 Q9HBX9 2/20 0.44
ALDH1A1 P00352 4/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8834085 0.84 KMT2A (0.49) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4980430 0.79 PTK2 (0.37) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL70575 0.77 KMT2A (0.56) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL26924306 0.76 KMT2A (0.47) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10636222 0.76 KMT2A (0.35) POLBMAPTKMT2AMEN1KDM4E
SCHEMBL3250677 0.76 ALDH1A1 (0.59) MAPTKMT2AMEN1ALDH1A1USP2
SCHEMBL13484347 0.74 PTGS1 (0.57) POLBMAPTKMT2AMEN1KDM4E
SCHEMBL23235157 0.74 CHEK1 (0.39) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL20263337 0.74 ALDH1A1 (0.41) POLBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL26924102 0.73 KMT2A (0.47) POLBMAPTKMT2AMEN1SMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed
EP-3782995-B1 SPIRO CONDENSED IMIDAZOLINE-2,4-DIONE DERIVATIVES AS HISTONE ACETYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES SHANGHAI INST MATERIA MEDICA CAS (CN) 2023-11-22 EP disclosed
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SUZHOU INSTITUTE OF MATERIA MEDICA (CN) 2022-01-06 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-04-08 US disclosed
EP-3782995-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-02-24 EP disclosed
WO-2019201291-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF 中国科学院上海药物研究所 2019-10-24 WO disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
WO-2016106009-A1 ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US 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-20210101891-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 POLB 317/4885MAPT 513/4885KMT2A 135/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 POLB 2293/4885MAPT 3351/4885KMT2A 3179/4885
US-20220002278-A9 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF EP300, HDAC11, HDAC1 POLB 317/4885MAPT 513/4885KMT2A 135/4885

“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.