SCHEMBL18949705

SCHEMBL18949705

OB(O)c1ccnc2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.45
CCNC P24863 1/20 0.45
GAK O14976 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
PARP1 P09874 1/20 0.41
IDO1 P14902 7/20 0.39
CHRM4 P08173 1/20 0.39
HTT P42858 1/20 0.38
CLK2 P49760 1/20 0.37
ACVR1 Q04771 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CYP11B2 P19099 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
NR4A2 P43354 1/20 0.36
RIPK2 O43353 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL29778037 0.86 FERMT2 (0.45) CDK8CCNCGAKIDO1ACVR1
SCHEMBL22812983 0.82 PARP1 (0.43) CDK8CCNCGAKSLC22A12PARP1
SCHEMBL16156640 0.81 GAK (0.46) CDK8CCNCGAKSLC22A12PARP1
SCHEMBL29955009 0.80 PARP1 (0.42) PARP1HTTNR4A2RIPK2
SCHEMBL29778053 0.80 NR4A2 (0.58) CDK8CCNCGAKPARP1NR4A2
SCHEMBL16010143 0.79 GAK (0.37) CDK8CCNCGAKSLC22A12PARP1
SCHEMBL28856552 0.79 SLC22A12 (0.49) CDK8CCNCGAKSLC22A12HTT
SCHEMBL18305649 0.76 LMNA (0.59) GAKSLC22A12RIPK2
SCHEMBL591523 0.76 CDK8 (0.49) CDK8CCNCGAKSLC22A12PARP1
SCHEMBL14300355 0.76 SMN1; SMN2 (0.56) CDK8CCNCGAKSLC22A12PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092750-B Pentafluoro sulfanyl substituted amide compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2023-07-21 CN disclosed
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 CN disclosed
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-07-19 US disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 US disclosed
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-02-18 US disclosed
US-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-02-18 US disclosed
CN-112334458-A 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2021-02-05 CN disclosed
CN-110105275-B Amide derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-12-29 CN disclosed
EP-3747865-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2020-12-09 EP disclosed
EP-3704095-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-09-09 EP disclosed
US-20200239420-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-30 US disclosed
US-20200239420-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-30 US disclosed
CN-111263752-A Modulators of indoleamine2,3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-06-09 CN disclosed
CN-110540521-A Octahydro pentalene compound, preparation method and application thereof in medicine and pharmacology BEIJING INNOCARE PHARMA TECH CO LTD 2019-12-06 CN disclosed
WO-2019228170-A1 OCTAHYDROPENTENE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 北京诺诚健华医药科技有限公司 (CN) 2019-12-05 WO disclosed
WO-2019158051-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR 中国科学院上海有机化学研究所 2019-08-22 WO disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 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 (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-20210047290-A1 SPIRO COMPOUND AS INDOLEAMINE-2,3-DIOXYGENASE INHIBITOR IDO1, IDO2, TPH1 CDK8 1321/4885CCNC 3149/4885GAK 1891/4885
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT CDK8 1750/4885CCNC 4183/4885GAK 2483/4885
US-20210046069-A1 PENTAFLUOROSULFANYL-SUBSTITUTED AMIDE DERIVATIVES, PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, KYNU CDK8 2456/4885CCNC 4786/4885GAK 3859/4885
US-20200239420-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 CDK8 1845/4885CCNC 3934/4885GAK 3215/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CDK8 300/4885CCNC 1178/4885GAK 886/4885
US-11389445-B2 Pentafluorosulfanyl-substituted amide derivatives, preparation methods thereof and medical uses thereof IDO1, IDO2, KYNU CDK8 2456/4885CCNC 4786/4885GAK 3859/4885

“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.