SCHEMBL13675427

SCHEMBL13675427

CNCC(N)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 8/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2D6 P10635 7/20 0.48
KCNH2 Q12809 5/20 0.48
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
BCDIN3D Q7Z5W3 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM8 O00222 1/20 0.40

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
SCHEMBL13673895 0.83 KDM4E (0.49) KDM4ESLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL29669002 0.79 SLC6A4 (0.48) KDM4ESLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1037866 0.79 SLC6A4 (0.48) KDM4ESLC6A2SLC6A4SLC6A3CFTR
SCHEMBL3465672 0.79 SLC6A4 (0.48) KDM4ESLC6A2SLC6A4SLC6A3CFTR
SCHEMBL6855637 0.79 SLC6A4 (0.48) KDM4ESLC6A2SLC6A4SLC6A3CFTR
SCHEMBL7010733 0.79 POLB (0.48) KDM4ECYP3A4CYP2D6SMN1; SMN2CYP2C9
SCHEMBL9129451 0.79 SLC6A3 (0.53) KDM4ESLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL4048311 0.79 SLC6A3 (0.55) KDM4ESLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL6320255 0.79 SLC6A3 (0.55) KDM4ESLC6A2SLC6A4SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL9073846 0.78 SLC6A4 (0.47) KDM4ESLC6A2SLC6A4SLC6A3CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT KDM4E 757/4885SLC6A2 2096/4885SLC6A4 1427/4885

“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.