SCHEMBL14840407

SCHEMBL14840407

Cn1cc(-c2ccncc2C=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 10/20 0.57
▸ CDK8 P49336 10/20 0.57
▸ SLC22A12 Q96S37 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ INCENP Q9NQS7 1/20 0.47
▸ TPX2 Q9ULW0 1/20 0.47
▸ CDK19 Q9BWU1 1/20 0.46
▸ ERN1 O75460 3/20 0.46
▸ BRD4 O60885 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40

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
SCHEMBL612984 0.81 BRD4 (0.53) CCNCCDK8ERN1BRD4
SCHEMBL30878061 0.80 HASPIN (0.45) CCNCCDK8SLC22A12AURKAAURKB
SCHEMBL18491330 0.80 CCNC (0.73) CCNCCDK8SLC22A12CDK19
SCHEMBL18491331 0.80 CCNC (0.73) CCNCCDK8SLC22A12CDK19
SCHEMBL19643702 0.80 HASPIN (0.45) CCNCCDK8SLC22A12AURKAAURKB
SCHEMBL18491821 0.79 CCNC (0.68) CCNCCDK8SLC22A12CDK19
SCHEMBL18491818 0.79 CCNC (0.68) CCNCCDK8SLC22A12CDK19
SCHEMBL16278740 0.77 ERN1 (0.48) CCNCCDK8AURKAAURKBINCENP
SCHEMBL18492109 0.77 CCNC (0.79) CCNCCDK8CDK19
SCHEMBL18492106 0.77 CCNC (0.79) CCNCCDK8CDK19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-16 — — US disclosed
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICALS CO (JP) 2021-07-08 — — US disclosed
US-9440990-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-13 — — US disclosed
US-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-31 — — US disclosed
US-8648079-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-11 — — US disclosed
US-20130090341-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-11 — — 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 (4 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-20150376205-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PSEN1, HTT CCNC 2269/4885CDK8 3526/4885SLC22A12 1246/4885
US-11174272-B2 1-arylcarbonyl-4-oxy-piperidine compounds useful for the treatment of neurodegenerative diseases SNCA, HTT, PSEN1 CCNC 2082/4885CDK8 3024/4885SLC22A12 1430/4885
US-20130090341-A1 HETEROCYCLIC COMPOUNDS HTT, NQO1, BDNF CCNC 1181/4885CDK8 1816/4885SLC22A12 702/4885
US-20210206781-A1 1-ARYLCARBONYL-4-OXY-PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN1 CCNC 2082/4885CDK8 3024/4885SLC22A12 1430/4885

“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.

Send feedback