SCHEMBL10183206

SCHEMBL10183206

Cn1cnc2cc(C(C)(C)C)ncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
GAA P10253 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL10183099 0.85 DYRK1A (0.38) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL19876979 0.84 CHRNB2 (0.40) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL29539368 0.84 CHRNB2 (0.40) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL24183782 0.81 CHRNB2 (0.38) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL10238695 0.75 GRM5 (0.41) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL25878224 0.74 FGFR1 (0.59) ALDH1A1HPGDHTT
SCHEMBL30397439 0.73 CHRNB2 (0.42) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL26751433 0.73 GRM5 (0.40) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL24484090 0.73 GRM5 (0.40) GRM5ALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL19267535 0.73 CHRNB2 (0.52) GRM5ALDH1A1MAPTCHRNB2CHRNA4

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 GRM5 4437/4885ALDH1A1 1934/4885MAPT 4105/4885

“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.