SCHEMBL17768626

SCHEMBL17768626

NC1CCc2c(Cl)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
ADRA1A P35348 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KMT5B Q4FZB7 1/20 0.30
KMT5C Q86Y97 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL1424574 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL18807211 0.78 HTR2C (0.39) HTR2AHTR2CHTR2BADRA1AFNTA
SCHEMBL379328 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL30666992 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL29532721 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL12583743 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL16420396 0.78 HTR2C (0.39) HTR2AHTR2CHTR2BADRA1AFNTA
SCHEMBL15267245 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BFNTAFNTB
SCHEMBL20510062 0.78 IL1RN (0.46) HTR2AHTR2CHTR2BIL1RNERAP2
SCHEMBL25667811 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BIL1RNERAP2

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
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 HTR2A 6/4885HTR2C 15/4885HTR2B 39/4885
US-20180327385-A1 AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 HTR2A 6/4885HTR2C 15/4885HTR2B 39/4885

“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.