SCHEMBL16631692

SCHEMBL16631692

Cn1cc(Cc2cn(Cc3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.50
HRH4 Q9H3N8 1/20 0.48
MPO P05164 1/20 0.47
KCNMA1 Q12791 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AMY1A P0DUB6 1/20 0.44
HSP90AB1 P08238 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL16631915 0.91 KCNMA1 (0.55) CYP19A1HRH4MPOKCNMA1NPC1
SCHEMBL18080377 0.88 CYP19A1 (0.48) CYP19A1HRH4MPOKCNMA1NPC1
SCHEMBL18081774 0.82 AMY1A (0.33) MPOAMY1A
SCHEMBL16631690 0.81 L3MBTL1 (0.47) NPC1RAB9AAMY1AMAOA
SCHEMBL18080399 0.80 KCNMA1 (0.54) CYP19A1HRH4MPOKCNMA1NPC1
SCHEMBL16631451 0.79 CYP19A1 (0.53) CYP19A1HRH4NPC1RAB9AAMY1A
SCHEMBL16631902 0.78 CYP19A1 (0.52) CYP19A1HRH4NPC1RAB9A
SCHEMBL16631717 0.78 DDB1 (0.38) MAOAMAOB
SCHEMBL16631387 0.78 MPO (0.51) CYP19A1HRH4MPOKCNMA1NPC1
SCHEMBL18081754 0.77 CHRNE (0.35) CYP19A1KCNMA1AMY1AHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CYP19A1 4868/4885HRH4 4824/4885MPO 2859/4885

“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.