Sugi Predict

Sugi Predict / Compounds / SCHEMBL6685244

SCHEMBL6685244

SCHEMBL6685244

[O]CCCc1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NAPRT Q6XQN6 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL6687014 0.92 HRH1 (0.35) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL839884 0.86 — —
SCHEMBL28362525 0.86 HSP90AA1 (0.40) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL7718583 0.83 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL12441745 0.83 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL6685246 0.78 POLB (0.40) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL7718580 0.78 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL14835009 0.78 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL6287667 0.78 CYP2A6 (0.47) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL4412197 0.78 CYP2D6 (0.43) KDM4ECYP2C9CYP3A4CYP2C19TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 — — WO disclosed
US-8653269-B2 Process for preparation of t-butoxycarbonylamine compounds NIPPON SODA CO., LTD. (JP) 2014-02-18 — — US disclosed
EP-2546235-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS Nippon Soda Co., Ltd. (JP) 2013-01-16 — — EP disclosed
US-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO., LTD. (JP) 2013-01-03 — — US disclosed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 — — WO disclosed
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 — — 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 (1 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-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS BPGM, TST, BET1 HDAC3 3553/4885HDAC1 3338/4885HDAC2 3434/4885

“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.