SCHEMBL15858005

SCHEMBL15858005

CN1CCN(Cc2ccc(F)cc2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.45
DPP4 P27487 1/20 0.45
MCHR1 Q99705 1/20 0.44
NPC1 O15118 1/20 0.44
GRM2 Q14416 1/20 0.43
ACHE P22303 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL15858059 0.85 LMNA (0.51) ALDH1A1POLBHTTSMN1; SMN2TP53
SCHEMBL14384416 0.85 ALDH1A1 (0.50) ALDH1A1POLBRAB9AHTTSMN1; SMN2
SCHEMBL26548227 0.84 LMNA (0.56) ALDH1A1RAB9AMCHR1KMT2AL3MBTL1
SCHEMBL12361201 0.83 L3MBTL1 (0.54) POLBRAB9ATP53MCHR1NPC1
SCHEMBL12902082 0.83 CHKA (0.50) ALDH1A1SMN1; SMN2HDAC1MEN1KMT2A
SCHEMBL23747464 0.82 RAB9A (0.56) ALDH1A1POLBRAB9ATP53MCHR1
SCHEMBL23995201 0.81 ALDH1A1 (0.50) ALDH1A1POLBRAB9AHTTTP53
SCHEMBL15858013 0.81 GAA (0.54) ALDH1A1POLBSMN1; SMN2DPP4GRM2
SCHEMBL17897294 0.80 RAB9A (0.49) ALDH1A1POLBRAB9AHTTTP53
SCHEMBL16627277 0.80 PRMT5 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 US disclosed
WO-2014105664-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 WO disclosed
WO-2014101113-A1 PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 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-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ALDH1A1 879/4885POLB 4019/4885RAB9A 976/4885

“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.