SCHEMBL2628832

SCHEMBL2628832

c1ccc(Cn2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.75
PKM P14618 4/20 0.73
ALDH1A1 P00352 3/20 0.73
GAA P10253 1/20 0.70
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
PAX8 Q06710 1/20 0.66
MAPK1 P28482 3/20 0.62
LMNA P02545 6/20 0.60
HTT P42858 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
GPR35 Q9HC97 2/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 1/20 0.59
ADRB2 P07550 1/20 0.59
MAPT P10636 2/20 0.56

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
SCHEMBL6667999 0.75 PKM (0.63) GPR55PKMALDH1A1GAAMEN1
SCHEMBL22678672 0.74 LMNA (1.00) GPR55PKMALDH1A1GAAMEN1
SCHEMBL29508263 0.74 LMNA (1.00) GPR55PKMALDH1A1GAAMEN1
SCHEMBL29306048 0.74 PKM (1.00) GPR55PKMALDH1A1GAAMEN1
SCHEMBL838709 0.72 ALDH1A1 (0.64) GPR55PKMALDH1A1GAAMEN1
SCHEMBL8111511 0.72 HTT (0.77) ALDH1A1KMT2AMAPK1LMNAHTT
SCHEMBL17457017 0.71 LMNA (1.00) GPR55PKMALDH1A1MEN1KMT2A
SCHEMBL30734132 0.71 HRH4 (0.66) ALDH1A1MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL6761545 0.70 PKM (0.61) GPR55PKMALDH1A1GAAMEN1
SCHEMBL16313533 0.70 GPR55 (0.58) GPR55PKMALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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 (2 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR55 324/4885PKM 4282/4885ALDH1A1 4716/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR55 125/4885PKM 4054/4885ALDH1A1 4742/4885

“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.