SCHEMBL10101240

SCHEMBL10101240

CC(C)n1cnc(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HCAR3 P49019 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MET P08581 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 2/20 0.31
PMP22 Q01453 2/20 0.31

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
SCHEMBL12245678 0.74
SCHEMBL22260360 0.68 KDM4E (0.30) ALDH1A1
SCHEMBL24235870 0.68 ADORA2A (0.35) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL11098685 0.67 ADORA2A (0.45) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL12246250 0.67 ALDH1A1 (0.38) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7519857 0.66 MAPK1 (0.66) ALDH1A1MEN1KMT2AADORA2ASMN1; SMN2
SCHEMBL23730962 0.66 CYP3A4 (0.45) ALDH1A1MEN1KMT2AADORA2APOLB
SCHEMBL21126208 0.65 CDK1 (0.50) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL18289528 0.65 CDK2 (0.54) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13531642 0.64 MET (0.35) ALDH1A1MEN1KMT2AMETSMN1; 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-01-11 US disclosed
US-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Pharmaceuticals, Inc. 2022-02-03 US disclosed
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US disclosed
WO-2020121123-A2 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Biopharma, Inc. (US) 2020-06-18 WO disclosed
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-09-05 US disclosed
US-20180215729-A1 NK 1 ANTAGONISTS OPKO HEALTH, INC. 2018-08-02 US disclosed
US-20180215729-A1 NK 1 ANTAGONISTS OPKO HEALTH, INC. 2018-08-02 US disclosed
US-9969711-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2018-05-15 US disclosed
US-9969711-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2018-05-15 US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20120295879-A1 NK1 Antagonists OPKO HEALTH, INC. (US) 2012-11-22 US disclosed
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-09-20 US disclosed
US-8163707-B2 4′-allene-substituted nucleoside derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8026364-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2011-09-27 US disclosed
US-8026364-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2011-09-27 US disclosed
US-20100190759-A1 NK 1 ANTAGONISTS OPKO HEALTH, INC. (US) 2010-07-29 US disclosed
US-20100190759-A1 NK 1 ANTAGONISTS OPKO HEALTH, INC. (US) 2010-07-29 US disclosed
US-7709641-B2 Neurokinin-1, substance P (NK1); serotonin reuptake inhibitors; for treating emesis, depression, anxiety and cough OPKO HEALTH, INC. (US) 2010-05-04 US disclosed
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-03-25 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 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 (10 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-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS PNP, TYMP, HAVCR2 ALDH1A1 2803/4885MEN1 3294/4885KMT2A 4179/4885
US-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD ALDH1A1 972/4885MEN1 4175/4885KMT2A 2924/4885
US-20120237480-A1 2'ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES NME2, HAVCR2, ENTPD5 ALDH1A1 888/4885MEN1 4555/4885KMT2A 4030/4885
US-20100190759-A1 NK 1 ANTAGONISTS BDKRB1, PROKR1, NPSR1 ALDH1A1 825/4885MEN1 1232/4885KMT2A 1406/4885
US-20100074889-A1 4'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES CCNI, CCNA1, CDK1 ALDH1A1 770/4885MEN1 4441/4885KMT2A 3869/4885
US-20120295879-A1 NK1 Antagonists NPSR1, GRPR, PROKR1 ALDH1A1 1238/4885MEN1 1114/4885KMT2A 2039/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT ALDH1A1 1148/4885MEN1 168/4885KMT2A 2094/4885
US-20180215729-A1 NK 1 ANTAGONISTS BDKRB1, PROKR1, NPSR1 ALDH1A1 825/4885MEN1 1232/4885KMT2A 1406/4885
US-20190270756-A1 6-MEMBERED URACIL ISOSTERES UNG, DUT, DPYD ALDH1A1 972/4885MEN1 4175/4885KMT2A 2924/4885
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE MYLK2, TNNT2, TNNC1 ALDH1A1 1551/4885MEN1 957/4885KMT2A 3634/4885

“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.