SCHEMBL362870

SCHEMBL362870

CCC(=O)c1ccnc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL1884527 0.83 GSK3B (0.50) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL17064644 0.83 UHRF1 (0.42) UHRF1MAPTPROKR1SMARCA2SMARCA4
SCHEMBL29740180 0.83 GSK3B (0.50) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL29740179 0.83 GSK3B (0.50) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL12672263 0.83 UHRF1 (0.42) UHRF1KMT2AMAPTPROKR1SMARCA2
Hydrochloric Acid SCHEMBL1924951 0.81 UHRF1 (0.41) UHRF1KMT2AMAPTPROKR1SMARCA2
Bromide SCHEMBL14676183 0.81 GSK3B (0.48) UHRF1PROKR1SMARCA2SMARCA4HDAC3
Hydrochloric Acid SCHEMBL14676437 0.81 GSK3B (0.48) UHRF1PROKR1SMARCA2SMARCA4HDAC3
Bromide SCHEMBL23407677 0.80 GSK3B (0.47) UHRF1PROKR1SMARCA2SMARCA4HDAC3
SCHEMBL11625130 0.80 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106277159-A A kind of methylene blue and the processing method of Congo red organic pollution 渤海大学 2017-01-04 CN claimed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
CN-112569895-B Preparation method of organic anionic dye adsorbent with high adsorption capacity, product and application thereof 徐州瑞鑫新材料研究院有限公司 2023-03-21 CN disclosed
CN-113908802-A Copper-based compound for adsorbing organic anionic dye 天津理工大学 2022-01-11 CN disclosed
CN-106277159-A A kind of methylene blue and the processing method of Congo red organic pollution 渤海大学 2017-01-04 CN disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR UHRF1 3714/4885ATM 304/4885MEN1 1926/4885
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK UHRF1 1303/4885ATM 669/4885MEN1 4109/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 UHRF1 2629/4885ATM 2717/4885MEN1 2715/4885

“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.