SCHEMBL911553

SCHEMBL911553

COc1nccc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
NOS1 P29475 1/20 0.39
NFE2L2 Q16236 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CCR4 P51679 1/20 0.35
IKBKB O14920 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
APLNR P35414 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL28091572 0.80 HPGD (0.46) NOS3NOS2NOS1KMT2AMEN1
SCHEMBL911419 0.78 CCR4 (0.43) DYRK1AAURKATTKAURKBINCENP
SCHEMBL29424822 0.78 AURKA (0.46) DYRK1AAURKATTKAURKBINCENP
SCHEMBL2946870 0.78 AURKA (0.46) DYRK1AAURKATTKAURKBINCENP
SCHEMBL29404332 0.77 NOS2 (0.56) DYRK1AAURKATTKAURKBINCENP
Hydrochloric Acid SCHEMBL10850408 0.77 AURKA (0.44) DYRK1AAURKATTKAURKBINCENP
SCHEMBL3202404 0.77 IKBKB (0.45) DYRK1AAURKATTKAURKBINCENP
SCHEMBL29513590 0.77 IKBKB (0.45) DYRK1AAURKATTKAURKBINCENP
SCHEMBL439658 0.77 NFE2L2 (0.36) DYRK1AAURKATTKAURKBINCENP
SCHEMBL56189 0.77 NOS2 (0.56) DYRK1AAURKATTKAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
US-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-24 US disclosed
EP-3908579-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-11-17 EP disclosed
CN-113574054-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2021-10-29 CN disclosed
WO-2020144638-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-07-16 WO disclosed
CN-110312724-A SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS 陆品有限公司 2019-10-08 CN disclosed
CN-109790122-A Heterocyclic compound 武田药品工业株式会社 2019-05-21 CN disclosed
CN-109311846-A Novel 6-membered Heteroaromatic Substituted Cyanoindole Derivatives as NIK Inhibitors 杨森制药有限公司 2019-02-05 CN disclosed
CN-108602802-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2018-09-28 CN disclosed
CN-105315259-B Pyridine amine pyrimidine derivates, its preparation method and application 上海艾力斯医药科技有限公司 2018-03-09 CN disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
CN-101291931-A 9-azabicyclo [3.3.1]nonane derivatives as monoamine reuptake inhibitors ORGANON NV (NL) 2008-10-22 CN disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 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 (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-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DYRK1A 3548/4885AURKA 4089/4885TTK 3407/4885
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 DYRK1A 2997/4885AURKA 987/4885TTK 4641/4885

“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.