SCHEMBL15749705

SCHEMBL15749705

CN(C)CCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.62
HTT P42858 2/20 0.62
USP2 O75604 1/20 0.61
RECQL P46063 1/20 0.61
POLB P06746 2/20 0.59
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP2D6 P10635 1/20 0.56
MAPT P10636 4/20 0.53
LMNA P02545 1/20 0.52
GFER P55789 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.51
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 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
SCHEMBL10812553 0.85 GAA (0.70) GAAHTTUSP2RECQLPOLB
SCHEMBL17213617 0.83 GAA (0.66) GAAHTTUSP2RECQLPOLB
SCHEMBL15749724 0.83 GAA (0.65) GAAHTTUSP2RECQLPOLB
SCHEMBL15750029 0.81 GAA (0.66) GAAHTTUSP2RECQLPOLB
SCHEMBL8746993 0.79 GAA (0.67) GAAHTTUSP2RECQLPOLB
SCHEMBL15750017 0.78 CYP2D6 (0.50) GAAHTTUSP2RECQLPOLB
SCHEMBL24559315 0.78 POLB (0.68) GAAHTTUSP2RECQLPOLB
SCHEMBL14027516 0.77 HTT (0.64) GAAHTTUSP2RECQLPOLB
SCHEMBL516338 0.76 GAA (0.62) GAAHTTUSP2RECQLPOLB
SCHEMBL8445877 0.76 ALDH1A1 (0.74) POLBALOX15HSD17B10CYP2D6ADORA2A

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
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
WO-2014081821-A2 Small Molecule Bicyclic and Tricyclic CFTR Correctors DISCOVERYBIOMED, INC. (US) 2014-05-30 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 (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 1041/4885HTT 2076/4885USP2 2182/4885

“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.