SCHEMBL9733579

SCHEMBL9733579

COC(=O)c1ccc(CN2CCCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 4/20 0.49
CHKA P35790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL1857662 0.99 HRH3 (0.59) HRH3MAPK1KDM4ECHKAL3MBTL1
SCHEMBL9202121 0.89 CHKA (0.55) HRH3MAPK1KDM4ECHKAL3MBTL1
SCHEMBL17075531 0.88 HRH3 (0.61) HRH3MAPK1KMT2ANPC1RAB9A
SCHEMBL18173335 0.88 MAPK1 (0.47) HRH3MAPK1KDM4ECHKAL3MBTL1
SCHEMBL15198051 0.86 HRH3 (0.58) HRH3MAPK1KDM4ECHKAL3MBTL1
SCHEMBL31043166 0.85 HRH3 (0.46) HRH3MAPK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL29250316 0.85 KDM5C (0.47) HRH3MAPK1KDM4EL3MBTL1KMT2A
SCHEMBL6949028 0.85 KDM4E (0.46) HRH3MAPK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL30583829 0.85 KDM5C (0.47) HRH3MAPK1KDM4EL3MBTL1KMT2A
SCHEMBL22465802 0.83 KDM4E (0.44) HRH3MAPK1KDM4EL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 CN disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 CN disclosed
US-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-11 US disclosed
US-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-11 US disclosed
CN-110759916-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-02-07 CN disclosed
CN-106661034-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2019-11-29 CN disclosed
US-9962388-B2 Pyrrolopyrimidine compounds used as TLR7 agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-05-08 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
EP-3190113-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-07-12 EP disclosed
EP-3190113-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-07-12 EP disclosed
CN-106661034-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2017-05-10 CN disclosed
WO-2016023511-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST 正大天晴药业集团股份有限公司 2016-02-18 WO disclosed
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 EP 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 (2 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-10555949-B2 Pyrrolopyrimidine compounds used as TLR7 agonist TLR7, TLR9, TLR1 HRH3 744/4885MAPK1 251/4885KDM4E 1970/4885
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST TLR7, TLR9, TLR1 HRH3 744/4885MAPK1 251/4885KDM4E 1970/4885

“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.