SCHEMBL2130914

SCHEMBL2130914

OCc1cccc(-c2ncccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.61
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DYRK1A Q13627 1/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 1/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
GPR68 Q15743 1/20 0.47
CDK8 P49336 1/20 0.46
FYN P06241 2/20 0.45
MAP2K4 P45985 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL3650445 0.83 PRKCI (0.51) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL27813877 0.83 PRKCI (0.51) PRKCICHRNB4CHRNA3CHRNA7PIK3CD
SCHEMBL3650131 0.82 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL1301002 0.82 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL13285567 0.82 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL1581550 0.82 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL31500185 0.82 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7HTR1A
SCHEMBL27783403 0.81 PRKCI (0.50) PRKCICHRNB4CHRNA3CHRNA7PIK3CD
SCHEMBL10595143 0.81 RECQL (0.50) PRKCICHRNB4CHRNA3CHRNA7CLK4
SCHEMBL4191589 0.80 PRKCI (0.72) PRKCICHRNB4CHRNA3CHRNA7CDK8

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
CN-109790146-A Medical compounds 阿尔麦克探索有限公司 2019-05-21 CN disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
EP-2516439-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-10-31 EP disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 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 (5 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 PRKCI 2728/4885CHRNB4 1744/4885CHRNA3 1463/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 PRKCI 2728/4885CHRNB4 1744/4885CHRNA3 1463/4885
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 PRKCI 3162/4885CHRNB4 3888/4885CHRNA3 2520/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 PRKCI 3031/4885CHRNB4 4373/4885CHRNA3 3116/4885
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 PRKCI 3236/4885CHRNB4 1483/4885CHRNA3 1250/4885

“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.