SCHEMBL10183099

SCHEMBL10183099

Cn1cnc2cnc(C(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
PRKCI P41743 1/20 0.32
SYK P43405 2/20 0.32
LMNA P02545 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
SCHEMBL10183206 0.85 GRM5 (0.38) DYRK1ACHRNB2CHRNA4GRM5ALDH1A1
SCHEMBL10183153 0.80 MEN1 (0.41) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL10183144 0.77 HCAR3 (0.41) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL10183102 0.77 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL10183183 0.77 MAPT (0.42) CHRNB2CHRNA4ALDH1A1MAPTNPC1
SCHEMBL10183186 0.76 PI4KA (0.36) ALDH1A1MAPTKMT2ALMNA
SCHEMBL10183626 0.75 EGFR (0.40) ALDH1A1NPC1GAASMN1; SMN2HSD17B10
SCHEMBL10183230 0.75 GLRA3 (0.35) GAASMN1; SMN2LMNAHTT
SCHEMBL10183171 0.75 EGFR (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7914272 0.75 DYRK1A (0.41) DYRK1ACHRNB2CHRNA4GRM5ALDH1A1

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF DYRK1A 1525/4885CHRNB2 4785/4885CHRNA4 4863/4885

“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.