Sugi Predict

Sugi Predict / Compounds / SCHEMBL14320804

SCHEMBL14320804

SCHEMBL14320804

CN1CCC(c2ccc(N)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ QDPR P09417 2/20 0.43
▸ HTR1D P28221 2/20 0.43
▸ HTR1B P28222 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ LSS P48449 2/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL159409 0.89 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL25792279 0.89 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL158531 0.88 QDPR (0.55) SLC18A3QDPRHTR1DHTR1BLSS
SCHEMBL15202744 0.84 CYP19A1 (0.43) SLC18A3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14544198 0.82 RAB9A (0.50) SLC18A3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16980526 0.81 HPGD (0.47) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL23707252 0.81 DRD2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL8082343 0.81 LSS (0.60) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL21815500 0.81 BRD4 (0.50) SLC6A2SLC6A4SLC6A3KCNH2QDPR
SCHEMBL13416053 0.81 NPC1 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 — — EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 — — EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
WO-2014041007-A1 PYRAZOLE CARBOXAMIDE DERIVATIVES AS TAAR MODULATORS FOR USE IN THE TREATMENT OF SEVERAL DISORDERS, SUCH AS DEPRESSION, DIABETES AND PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 — — WO disclosed
WO-2014041106-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 — — WO disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 — — WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
WO-2011156786-A2 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 — — 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SLC18A3 3057/4885SLC6A2 2761/4885SLC6A4 3816/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SLC18A3 3360/4885SLC6A2 3597/4885SLC6A4 3701/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SLC18A3 3057/4885SLC6A2 2761/4885SLC6A4 3816/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK SLC18A3 3057/4885SLC6A2 2761/4885SLC6A4 3816/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 SLC18A3 2683/4885SLC6A2 1855/4885SLC6A4 3855/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SLC18A3 3127/4885SLC6A2 2644/4885SLC6A4 3588/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SLC18A3 3127/4885SLC6A2 2644/4885SLC6A4 3588/4885

“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.