SCHEMBL4134543

SCHEMBL4134543

O=Cc1ccc(-c2ncnc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
PI4KA P42356 4/20 0.54
PI4K2B Q8TCG2 4/20 0.54
PI4K2A Q9BTU6 4/20 0.54
PI4KB Q9UBF8 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
APEX1 P27695 1/20 0.54
BLM P54132 1/20 0.54
ADCY1 Q08828 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.49

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
SCHEMBL22111670 0.86 CYP2C19 (0.52) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4137893 0.82 CYP1A2 (0.54) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL30622731 0.82 CYP2C19 (0.54) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL22111671 0.81 CYP2C19 (0.51) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4123766 0.81 CYP2C19 (0.48) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL13651697 0.81 CYP2C19 (0.48) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4122030 0.81 NPC1 (0.60) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4063305 0.81 CYP1A2 (0.53) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4070092 0.80 NPC1 (0.54) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4063885 0.79 CYP1A2 (0.56) CYP2C19PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969904-A Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-10-31 CN disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 EP disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 EP disclosed
CN-111148740-B Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-08-25 CN disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 US disclosed
CN-111148740-A Compounds useful as autophagy modulators and methods of making and using the same 微境生物医药科技(上海)有限公司 2020-05-12 CN disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 EP disclosed
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
EP-2016077-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-01-21 EP disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (6 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 CYP2C19 3886/4885PI4KA 540/4885PI4K2B 600/4885
US-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 CYP2C19 3670/4885PI4KA 77/4885PI4K2B 99/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 CYP2C19 3670/4885PI4KA 77/4885PI4K2B 99/4885
US-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 CYP2C19 1592/4885PI4KA 1992/4885PI4K2B 1847/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 CYP2C19 3886/4885PI4KA 540/4885PI4K2B 600/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 CYP2C19 3520/4885PI4KA 1245/4885PI4K2B 947/4885

“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.