SCHEMBL17768901

SCHEMBL17768901

Nc1nc(-n2ccnn2)c(Cl)nc1C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ HSD17B13 Q7Z5P4 2/20 0.45
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ EPHX2 P34913 8/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ PTGES O14684 5/20 0.39
▸ PPARG P37231 3/20 0.39

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
SCHEMBL17768739 0.88 CNR1 (0.48) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17768668 0.85 CNR1 (0.49) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17768753 0.84 CNR1 (0.49) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17768692 0.83 CNR1 (0.46) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17769156 0.82 CNR1 (0.48) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17768862 0.81 ADORA2A (0.53) ADORA2AADORA1GRM5
SCHEMBL17768933 0.80 MET (0.43) HSD17B13ADORA2AADORA1GRM5PPARG
SCHEMBL12629799 0.75 CNR1 (0.57) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17778279 0.75 CNR1 (0.46) CNR1CNR2HSD17B13ADORA2AADORA1
SCHEMBL17778078 0.74 CNR1 (0.47) CNR1CNR2HSD17B13ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US claimed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — US claimed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP claimed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — WO claimed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-10472347-B2 Aminopyrazine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2019-11-12 — — US disclosed
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2018-11-15 — — US disclosed
EP-3220910-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES Merck Sharp & Dohme Corp. (US) 2017-09-27 — — EP disclosed
WO-2016081290-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-05-26 — — 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 (2 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-10472347-B2 Aminopyrazine compounds with A2A antagonist properties ADORA2A, ADORA1, ADORA3 CNR1 85/4885CNR2 222/4885HSD17B13 3306/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 CNR1 85/4885CNR2 222/4885HSD17B13 3306/4885

“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.

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