SCHEMBL17897293

SCHEMBL17897293

CC[C@@H]1CN(c2ccc(F)cc2)CCN1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
NOTUM Q6P988 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
HTR1A P08908 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL19003592 0.89 MAPT (0.38) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL17897303 0.88 MAPT (0.40) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL19003535 0.83 MAPT (0.36) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL15858970 0.80 MAPT (0.43) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL17897235 0.80 MAPT (0.43) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL15858021 0.80 ESR1 (0.45) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL15858019 0.79 MAPT (0.42) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL19003696 0.79 MAPT (0.42) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL15858968 0.79 ALDH1A1 (0.43) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL17897246 0.78 MAPT (0.41) MAPTALDH1A1LMNAMAPK1HTT

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-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

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 MAPT 1836/4885ALDH1A1 879/4885LMNA 2932/4885

“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.