SCHEMBL9930309

SCHEMBL9930309

Cc1c(N)cnn1C1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL23275182 0.89 ALOX15 (0.47) ALOX15DRD2DRD4DRD3GAA
SCHEMBL15652090 0.81 ALOX15 (0.41) ALOX15DRD2DRD4DRD3GAA
SCHEMBL16985280 0.81 ALOX15 (0.41) ALOX15DRD2DRD4DRD3GAA
SCHEMBL5021136 0.81 ALOX15 (0.66) ALOX15DRD2DRD4DRD3GAA
SCHEMBL5021081 0.81 LRRK2 (0.43) ALOX15
Hydrochloric Acid SCHEMBL15995595 0.79 ALOX15 (0.64) ALOX15DRD2DRD4DRD3GAA
SCHEMBL17076895 0.78 ALOX15 (0.43) ALOX15DRD2DRD4DRD3GAA
SCHEMBL31177270 0.78 ALOX15 (0.40) ALOX15DRD2DRD4DRD3GAA
SCHEMBL15650925 0.78 ALOX15 (0.40) ALOX15
SCHEMBL4561032 0.76 LRRK2 (0.40) ALOX15GAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 ALOX15 4033/4885DRD2 632/4885DRD4 1366/4885

“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.