SCHEMBL2180279

SCHEMBL2180279

CCN(CC)CCNCCCOc1nnc2c(n1)c(=O)n(C)c(=O)n2-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 4/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL2183997 0.98 POLB (0.37) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL2181230 0.92 HRH3 (0.41) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL2181265 0.91 POLB (0.38) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL2184077 0.91 ADORA2A (0.43) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL2180336 0.89 POLB (0.38) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL2184174 0.87 POLB (0.39) POLBALDH1A1TSHRHSD17B10KDM4E
SCHEMBL2181811 0.87 ADORA2A (0.43) POLBADORA2AADORA1ADORA3ADORA2B
SCHEMBL3261228 0.86 POLB (0.41) POLBALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL2180836 0.85 POLB (0.39) POLBTSHRKMT2ARXFP1SMN1; SMN2
SCHEMBL2183502 0.85 POLB (0.41) POLBALDH1A1TSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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 (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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 POLB 254/4885ADORA2A 2201/4885ADORA1 1713/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885ADORA2A 836/4885ADORA1 1150/4885

“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.