SCHEMBL15980602

SCHEMBL15980602

Cc1nc(C(C)C)ccc1-c1cn(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
ACVR1 Q04771 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
CRHR1 P34998 1/20 0.31
MAPT P10636 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL15984829 0.80 LRRK2 (0.43) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL25435848 0.78 LRRK2 (0.41) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL14844627 0.78 LRRK2 (0.48) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL19902075 0.71 HTT (0.44) PDE10AMAPT
SCHEMBL26855947 0.69 CYP2E1 (0.42) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL15980603 0.69 BRD4 (0.40) LRRK2IRAK4KDM5B
SCHEMBL20232782 0.68 MET (0.38) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL824013 0.67
SCHEMBL15829876 0.66 CYP1A2 (0.49) LRRK2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL15980657 0.66 PSMB5 (0.42) CYP2A6CYP2C9CYP2B6CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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 (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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK LRRK2 1018/4885CYP2E1 1107/4885CYP2A6 2460/4885

“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.