SCHEMBL15857985

SCHEMBL15857985

CCc1nc2ccncc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
AOC2 O75106 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL21540392 0.86 ATM (0.53) RPS6KA5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10281995 0.84 MAPT (0.42) RPS6KA5AOC2NPC1RAB9ASMN1; SMN2
SCHEMBL10313053 0.81 SMN1; SMN2 (0.44) TSHRAOC2NPC1RAB9ASMN1; SMN2
SCHEMBL17897213 0.81 LMNA (0.44) TSHRMAPK1AOC2NPC1RAB9A
SCHEMBL18306494 0.81 NPC1 (0.45) MAPK1AOC2NPC1RAB9ASMN1; SMN2
SCHEMBL8088160 0.78 MAPT (0.65) RPS6KA5AOC2NPC1RAB9ASMN1; SMN2
SCHEMBL8657015 0.78 MAPT (0.47) RECQLTSHRAOC2NPC1RAB9A
SCHEMBL4776333 0.76 KDM4E (0.47) RPS6KA5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30037937 0.76 RAB9A (0.62) RECQLTSHRMAPK1NPC1RAB9A
SCHEMBL757031 0.76 RAB9A (0.62) RECQLTSHRMAPK1NPC1RAB9A

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
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

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 RPS6KA5 313/4885RECQL 1084/4885TSHR 345/4885

“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.