SCHEMBL1817011

SCHEMBL1817011

COC(=O)c1ccccc1Nc1c(-c2ccc3nccnc3c2)cnn1-c1ccccc1C

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.83
ADORA2B P29275 2/20 0.56
ADORA3 P0DMS8 1/20 0.54
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 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
SCHEMBL3306156 0.91 ADORA1 (1.00) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL1816888 0.88 ADORA1 (0.67) ADORA1ADORA2BADORA3MAPTMEN1
SCHEMBL27826568 0.88 ADORA1 (0.65) ADORA1ADORA2BADORA3MAPTMEN1
SCHEMBL7938634 0.84 ADORA1 (0.83) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL1817013 0.83 ADORA1 (0.81) ADORA1ADORA2BADORA3POLBADORA2A
SCHEMBL3304067 0.78 ADORA1 (0.77) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL28945558 0.78 ADORA1 (0.76) ADORA1ADORA2BADORA3MAPTPOLB
SCHEMBL3304814 0.77 ADORA1 (0.84) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL1817720 0.77 ADORA1 (0.72) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL3306239 0.74 ADORA1 (0.68) ADORA1ADORA2BADORA3ADORA2A

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
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (1 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADORA1 724/4885ADORA2B 379/4885ADORA3 168/4885

“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.