SCHEMBL9729217

SCHEMBL9729217

COC(=O)C1C(=O)C(C(=O)OC)[C@H]2C(C(=O)OC)C(=O)C(C(=O)OC)[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 3/20 0.41
BRD4 O60885 1/20 0.36
KMT2A Q03164 1/20 0.36
DNTT P04053 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ELANE P08246 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
MAPT P10636 2/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
ITGA4 P13612 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 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
SCHEMBL11359745 1.00 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL11359734 1.00 CYP1A2 (0.52) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL18306600 0.85 CYP1A2 (0.42) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL17199517 0.77 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL9637490 0.77 CYP1A2 (0.50) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL1012159 0.73 CYP1A2 (0.51) CYP1A2HIF1AALDH1A1KMT2A
SCHEMBL1011715 0.73 CYP1A2 (0.89) CYP1A2HIF1ABRD4
SCHEMBL9729226 0.73 ALDH1A1 (0.45) CYP1A2ALDH1A1KMT2ANPSR1MAPT
SCHEMBL3301366 0.72 CYP1A2 (0.46) CYP1A2HIF1AALDH1A1BRD4KMT2A
SCHEMBL9873481 0.70 POLB (0.42) CYP1A2HIF1AALDH1A1BRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
WO-2011113293-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 (CN) 2011-09-22 WO disclosed
US-5102793-A STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS SCHERING AKTIENGESELLSCHAFT (DE) 1992-04-07 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 (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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK CYP1A2 1337/4885HIF1A 1655/4885ALDH1A1 1507/4885

“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.