SCHEMBL12236016

SCHEMBL12236016

CN(C)C[C@@H]1CN(c2ccc(N)cc2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
LRRK2 Q5S007 2/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
GFER P55789 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2C P18825 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 2/20 0.37
CD63 P08962 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2505100 1.00 SYK (0.42) SYKLRRK2MAPTGAAGFER
SCHEMBL16440191 0.87 GAA (0.43) SYKLRRK2MAPTGAAKDM4E
SCHEMBL20306336 0.86 ALDH1A1 (0.46) SYKLRRK2MAPTGAAKDM4E
SCHEMBL23108995 0.86 ALDH1A1 (0.46) SYKLRRK2MAPTGAAKDM4E
SCHEMBL23107110 0.86 ALDH1A1 (0.46) SYKLRRK2MAPTGAAKDM4E
SCHEMBL24495261 0.86 SYK (0.40) SYKLRRK2MAPTGAAKMT2A
SCHEMBL18436051 0.85 LMNA (0.43) SYKLRRK2SMN1; SMN2LMNAMAPK1
SCHEMBL23114522 0.84 TDP1 (0.40) SYKLRRK2MAPTGAAGFER
SCHEMBL19012754 0.84 TDP1 (0.40) SYKLRRK2MAPTGAAGFER
SCHEMBL23089673 0.84 LRRK2 (0.42) SYKLRRK2CD63ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS SYK 1871/4885LRRK2 2822/4885MAPT 3729/4885

“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.