SCHEMBL4584418

SCHEMBL4584418

CC(C)n1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 1.00
ADORA1 P30542 3/20 1.00
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
MAPK14 Q16539 2/20 0.44
TGFBR1 P36897 5/20 0.43
BMPR1B O00238 3/20 0.43
BMPR1A P36894 3/20 0.43
ACVRL1 P37023 3/20 0.43
ACVR1 Q04771 3/20 0.43
NPY5R Q15761 1/20 0.43
ATR Q13535 3/20 0.41
TGFBR2 P37173 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TNIK Q9UKE5 1/20 0.40
BRD4 O60885 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL29443963 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL4584161 0.91 ADORA2A (0.84) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL4586085 0.88 ADORA2A (0.79) ADORA2AADORA1ADORA3ADORA2BTGFBR1
SCHEMBL4584666 0.87 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL4584024 0.87 ADORA2A (0.77) ADORA2AADORA1TGFBR1BMPR1BBMPR1A
SCHEMBL4584767 0.87 ADORA2A (0.77) ADORA2AADORA1ADORA3ADORA2BTGFBR1
SCHEMBL4585498 0.86 ADORA2A (0.76) ADORA2AADORA1ADORA3ADORA2BTGFBR1
SCHEMBL4584522 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL4584525 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL4585799 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2BNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114053269-A Adenosine A1/A2ADual receptor antagonists 南开大学 2022-02-18 CN disclosed
EP-2838530-B1 METHODS FOR TREATING PARKINSON'S DISEASE UCB BIOPHARMA SPRL (BE) 2017-04-05 EP disclosed
EP-2838530-B1 METHODS FOR TREATING PARKINSON'S DISEASE UCB BIOPHARMA SPRL (BE) 2017-04-05 EP disclosed
US-20160367560-A1 Methods for Treating Parkinson's Disease UCB PHARMA, S.A. (BE) 2016-12-22 US disclosed
US-20160367560-A1 Methods for Treating Parkinson's Disease UCB PHARMA, S.A. (BE) 2016-12-22 US disclosed
US-20160367560-A1 Methods for Treating Parkinson's Disease UCB PHARMA, S.A. (BE) 2016-12-22 US disclosed
US-9387212-B2 Methods for treating Parkinson's disease UCB BIOPHARMA SPRL (BE) 2016-07-12 US disclosed
US-9387212-B2 Methods for treating Parkinson's disease UCB BIOPHARMA SPRL (BE) 2016-07-12 US disclosed
US-9387212-B2 Methods for treating Parkinson's disease UCB BIOPHARMA SPRL (BE) 2016-07-12 US disclosed
US-20150157638-A1 Methods for Treating Parkinson's Disease UCB BIOPHARMA SPRL (BE) 2015-06-11 US disclosed
US-20150157638-A1 Methods for Treating Parkinson's Disease UCB BIOPHARMA SPRL (BE) 2015-06-11 US disclosed
US-20150157638-A1 Methods for Treating Parkinson's Disease UCB BIOPHARMA SPRL (BE) 2015-06-11 US disclosed
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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 (3 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 4/4885
US-20150157638-A1 Methods for Treating Parkinson's Disease ADORA2A, GRIN2A, GRIN3A ADORA2A 1/4885ADORA1 6/4885ADORA3 8/4885
US-20160367560-A1 Methods for Treating Parkinson's Disease ADORA2A, GRIN2A, GRIN3A ADORA2A 1/4885ADORA1 6/4885ADORA3 8/4885

“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.