SCHEMBL14059374

SCHEMBL14059374

CC(C)(C)c1ccc2nnc(C#N)c(N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.56
▸ CSNK1D P48730 5/20 0.38
▸ CSNK1G2 P78368 4/20 0.38
▸ CSNK1A1 P48729 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL38661281 0.76 LRRK2 (0.57) LRRK2CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL20301264 0.72 KDM4E (0.48) HTTSMN1; SMN2LMNAPOLBHIF1A
SCHEMBL14059868 0.72 LRRK2 (1.00) LRRK2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL24392231 0.69 PDE10A (0.47) LMNAPOLBKDM4EGAAKMT2A
SCHEMBL38661942 0.68 GPR3 (0.54) LRRK2CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL24392242 0.67 ACHE (0.45) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL14289088 0.65 GPR3 (0.43) LRRK2GSK3BHTTLMNAPOLB
SCHEMBL22521377 0.65 KDM4E (0.57) CSNK1DCSNK1G2CSNK1A1GSK3BNCOA1
SCHEMBL19531669 0.65 ALDH1A1 (0.41) CSNK1DCSNK1G2CSNK1A1GSK3BHTT
SCHEMBL6354262 0.64 KIF11 (0.44) CSNK1DCSNK1G2CSNK1A1GSK3BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 — — US claimed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO claimed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 — — US disclosed
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 — — US disclosed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — 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 (1 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-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY LRRK2, PARK7, PINK1 LRRK2 1/4885CSNK1D 260/4885CSNK1G2 124/4885

“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.

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