SCHEMBL369178

SCHEMBL369178

Cn1cc(-n2ccc(=O)c(C=Cc3ccc4nccnc4c3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.35
DYRK1A Q13627 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PIK3CD O00329 1/20 0.33
CSNK2A2 P19784 1/20 0.33
MAOB P27338 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
CLK1 P49759 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK2 Q92630 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CYP3A4 P08684 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 3/20 0.32

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
SCHEMBL14916001 1.00 MET (0.35) METDYRK1ANPC1RAB9APIK3CD
SCHEMBL174725 0.88 MET (0.44) METDYRK1ANPC1RAB9APIK3CD
SCHEMBL164506 0.88 MET (0.44) METDYRK1ANPC1RAB9APIK3CD
SCHEMBL369021 0.74 MET (0.39) METDYRK1AWNT1GSK3B
SCHEMBL14915754 0.74 PDE10A (0.38) METDYRK1AWNT1GSK3BPDE10A
SCHEMBL13275030 0.68 KMT2A (0.38) MEN1KMT2AGAAKDM5A
SCHEMBL368618 0.67 CYP2C9 (0.36) CYP3A4MEN1KMT2AGAAPKM
SCHEMBL13275029 0.67 CYP2C9 (0.36) MEN1KMT2AGAAKDM5A
SCHEMBL367892 0.67 CYP2C9 (0.36) CYP3A4MEN1KMT2AGAAPKM
SCHEMBL360685 0.67 MET (0.46) METDYRK1ADYRK1BPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MET 3/4885DYRK1A 239/4885NPC1 3573/4885

“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.