SCHEMBL2694073

SCHEMBL2694073

OCCc1c[nH]c2nccc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.50
CDK2 P24941 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
AXL P30530 2/20 0.48
PRKCI P41743 2/20 0.48
AURKB Q96GD4 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
PRKCG P05129 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL2696119 0.84 LRRK2 (0.50) LRRK2CDK2CDK9CDK5AXL
Hydrochloric Acid SCHEMBL21546059 0.83 LRRK2 (0.49) LRRK2CDK2CDK9CDK5AXL
SCHEMBL2693766 0.80 LRRK2 (0.53) LRRK2CDK2CDK9CDK5AXL
SCHEMBL20757525 0.80 LRRK2 (0.53) LRRK2CDK2CDK9CDK5AXL
Hydrochloric Acid SCHEMBL27167150 0.79 LRRK2 (0.51) LRRK2CDK2CDK9CDK5AXL
Hydrochloric Acid SCHEMBL30705239 0.79 LRRK2 (0.51) LRRK2CDK2CDK9CDK5AXL
SCHEMBL25323944 0.76 LRRK2 (0.60) LRRK2CDK2CDK9CDK5AXL
SCHEMBL30543182 0.76 LRRK2 (0.60) LRRK2CDK2CDK9CDK5AXL
SCHEMBL2038637 0.76 CYP2D6 (0.54) LRRK2CDK2CDK9CDK5AXL
SCHEMBL9937273 0.76 LRRK2 (0.47) LRRK2CDK2CDK9CDK5AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710420-B Azabicyclic formula compound or its salt, containing its medicine, compositions and application 大鹏药品工业株式会社 2016-07-27 CN disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
CN-102471335-B Azanebicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
CN-104710420-A Azabicyclo compound and salt thereof, medication and composition containing same, and application thereof TAIHO PHARMACEUTICAL CO LTD 2015-06-17 CN disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
CN-102471335-A Azanebicyclic compound or salt thereof TAIHO PHARMACEUTICAL CO LTD 2012-05-23 CN disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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 (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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 LRRK2 3319/4885CDK2 274/4885CDK9 1144/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 LRRK2 3319/4885CDK2 274/4885CDK9 1144/4885

“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.