SCHEMBL17213617

SCHEMBL17213617

Cn1c(=O)c2[nH]c(NCCO)nc2n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.66
MAPT P10636 3/20 0.66
HTT P42858 2/20 0.65
USP2 O75604 1/20 0.64
RECQL P46063 1/20 0.64
POLB P06746 3/20 0.61
ALOX15 P16050 1/20 0.60
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.53
ADORA2B P29275 1/20 0.52
MEN1 O00255 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8746993 0.89 GAA (0.67) GAAMAPTHTTUSP2RECQL
SCHEMBL10812553 0.87 GAA (0.70) GAAMAPTHTTUSP2RECQL
SCHEMBL15749724 0.86 GAA (0.65) GAAMAPTHTTUSP2RECQL
SCHEMBL15749705 0.83 GAA (0.62) GAAMAPTHTTUSP2RECQL
SCHEMBL15750029 0.83 GAA (0.66) GAAMAPTHTTUSP2RECQL
SCHEMBL24559315 0.80 POLB (0.68) GAAMAPTHTTUSP2RECQL
SCHEMBL14027516 0.79 HTT (0.64) GAAMAPTHTTUSP2RECQL
SCHEMBL21637929 0.79 GAA (0.44) GAAMAPTHTTUSP2RECQL
SCHEMBL516338 0.79 GAA (0.62) GAAMAPTHTTUSP2RECQL
SCHEMBL17213618 0.78 POLB (0.87) GAAMAPTHTTUSP2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693345-A IMB-C5 series compounds with anti-coronavirus activity and application thereof 中国医学科学院医药生物技术研究所 2024-03-12 CN disclosed
US-9546176-B2 Small molecule bicyclic and tricyclic CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-01-17 US disclosed
US-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-29 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 (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-20150307503-A1 SMALL MOLECULE BICYCLIC AND TRICYCLIC CFTR CORRECTORS CFTR, CLCN2, CLIC1 GAA 1041/4885MAPT 4311/4885HTT 2076/4885

“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.