SCHEMBL17768853

SCHEMBL17768853

Nc1nc(-n2nccn2)c(Cl)nc1C(=O)NCc1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ ADORA2A P29274 5/20 0.42
▸ GRM5 P41594 2/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL17768824 0.90 ADORA2A (0.43) PRNPKMT2AALDH1A1ADORA2AGRM5
SCHEMBL17769096 0.89 GRM5 (0.42) PRNPKMT2AALDH1A1ADORA2AGRM5
SCHEMBL17769154 0.84 HPGD (0.50) KMT2AALDH1A1ADORA2AADORA1MAPT
SCHEMBL17768668 0.84 CNR1 (0.49) KMT2AADORA2AGRM5ADORA1MAPK1
SCHEMBL17768973 0.82 ADORA2A (0.52) ADORA2AGRM5ADORA1PIK3CDSMN1; SMN2
SCHEMBL17768924 0.82 ADORA2A (0.57) ADORA2AADORA1HDAC1
SCHEMBL17768953 0.82 ADORA2A (0.54) ADORA2AADORA1MAPK1HDAC1
SCHEMBL17768637 0.81 ADORA2A (0.46) ADORA2AGRM5ADORA1PIK3CD
SCHEMBL17768864 0.81 ADORA2A (0.48) ADORA2AGRM5ADORA1SMN1; SMN2
SCHEMBL17769005 0.81 ROS1 (0.44) ADORA2AADORA1

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 PRNP 513/4885KMT2A 1004/4885ALDH1A1 591/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 PRNP 513/4885KMT2A 1004/4885ALDH1A1 591/4885

“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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