SCHEMBL722986

SCHEMBL722986

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
LRRK2 Q5S007 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
ADORA2A P29274 1/20 0.45
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
LTA4H P09960 1/20 0.43
PDPK1 O15530 1/20 0.43
HIF1AN Q9NWT6 1/20 0.43

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
SCHEMBL2797649 0.94 TSHR (0.52) SYKHTR2BTSHRCYP2D6KDM4E
SCHEMBL4154959 0.91 LTA4H (0.53) HTR2CHTR2BPOLBCYP2D6KDM4E
SCHEMBL723902 0.88 LTA4H (0.42) KDM4ELTA4H
SCHEMBL31068420 0.87 POLB (0.51) SYKTSHRPOLBKDM4ENPC1
SCHEMBL17075646 0.86 KDM4E (0.48) SYKHTR2CHTR2BTSHRPOLB
SCHEMBL13957871 0.86 POLB (0.44) SYKHTR2CHTR2BTSHRPOLB
SCHEMBL14758443 0.86 TSHR (0.62) HTR2CHTR2BTSHRPOLBCYP2D6
SCHEMBL22636056 0.86 ALDH1A1 (0.44) SYKHTR2CHTR2BTSHRPOLB
SCHEMBL430271 0.84 ALDH1A1 (0.43) SYKTSHRPOLBNPC1RAB9A
SCHEMBL28502391 0.83 FGFR3 (0.43) TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 CN disclosed
US-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-06 US disclosed
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-12-28 US disclosed
EP-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 EP disclosed
CN-110520416-A Polysubstituted pyridine ketones derivant, preparation method and its medical usage BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD 2019-11-29 CN disclosed
US-10442797-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-10-15 US disclosed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US disclosed
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP disclosed
WO-2012167733-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-12-13 WO disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 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 (7 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-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 SYK 1715/4885LRRK2 397/4885HTR2C 1255/4885
US-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP AXL, TYRO3, LCK SYK 10/4885LRRK2 39/4885HTR2C 2518/4885
US-10442797-B2 Pyridone derivatives having tetrahydropyranylmethyl groups AXL, TYRO3, PDXK SYK 27/4885LRRK2 31/4885HTR2C 2329/4885
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 SYK 18/4885LRRK2 309/4885HTR2C 994/4885
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups AXL, TYRO3, PDXK SYK 27/4885LRRK2 31/4885HTR2C 2329/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB SYK 2518/4885LRRK2 400/4885HTR2C 644/4885
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS AXL, TYRO3, PDXK SYK 27/4885LRRK2 31/4885HTR2C 2329/4885

“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.