SCHEMBL2223072

SCHEMBL2223072

CN(CCN(C(=O)O)c1cccc(Cc2nn(-c3cc(F)c(F)c(F)c3)ccc2=O)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
CACNA2D1 P54289 5/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
GAA P10253 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
TP53 P04637 1/20 0.31
PARP1 P09874 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
SCHEMBL2362863 0.94 PDE10A (0.35) PDE10ACACNA2D1RAB9ANPC1JAK2
SCHEMBL2223741 0.91 PDE10A (0.34) PDE10ACACNA2D1RAB9ANPC1JAK2
SCHEMBL13275164 0.89 CACNA2D1 (0.39) PDE10ACACNA2D1RAB9ANPC1JAK2
SCHEMBL2221519 0.89 TP53 (0.35) PDE10ACACNA2D1RAB9ANPC1JAK2
SCHEMBL13274853 0.89 PDE10A (0.33) PDE10ACACNA2D1RAB9AALDH1A1MEN1
SCHEMBL13506697 0.88 PDE10A (0.33) PDE10ACACNA2D1RAB9AMEN1KMT2A
SCHEMBL13275008 0.85 OPRM1 (0.36) CACNA2D1CYP2C9OPRM1PARP1
SCHEMBL2223751 0.85 PDE10A (0.32) PDE10AGAA
SCHEMBL13275433 0.84 GPR52 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL13274648 0.84 HTR7 (0.35) CACNA2D1CYP2C9OPRM1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PDE10A 4035/4885CACNA2D1 4542/4885RAB9A 2525/4885

“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.