SCHEMBL15748787

SCHEMBL15748787

CCOC(=O)c1cn2nc(C)c(-c3ccc(Cl)cc3)c2nn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
GABRA2 P47869 7/20 0.50
GABRB2 P47870 7/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRB P10828 1/20 0.48
PTGS2 P35354 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
CHRNA7 P36544 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL15748796 0.84 MAPT (0.47) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL15748788 0.79 RAB9A (0.56) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL15748809 0.78 MAPT (0.81) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL13977289 0.77 MAPT (1.00) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL5269616 0.71 KDM4E (0.58) KDM4EGABRA2GABRB2L3MBTL1PTGS2
SCHEMBL15748870 0.70 MAPT (0.85) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL17460360 0.70 KDM4E (0.52) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL16245852 0.69 NPC1 (0.59) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL16830986 0.69 GABRA2 (0.48) MAPTKDM4EALDH1A1HPGDGABRA2
SCHEMBL5023193 0.68 CHRNA7 (0.60) GABRA2GABRB2NPC1RAB9ACHRNA7

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
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-9676779-B2 Small molecule CFTR correctors DISCOVERYBIOMED, INC. (US) 2017-06-13 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
US-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED, INC. (US) 2015-10-22 US disclosed
WO-2014081820-A1 SMALL MOLECULE 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-20150299206-A1 SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC26A4 MAPT 4258/4885KDM4E 4245/4885ALDH1A1 3475/4885

“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.