SCHEMBL1317347

SCHEMBL1317347

C[C@H](Cc1ccccc1)N(C)c1cc(Cl)nc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
NUDT1 P36639 1/20 0.46
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSP90AB1 P08238 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ADCY10 Q96PN6 3/20 0.41
SIGMAR1 Q99720 3/20 0.40
MAOB P27338 5/20 0.38
MAOA P21397 3/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL13153729 0.76 KMT2A (0.56) SMN1; SMN2KDM4EKMT2ANUDT1HSP90AB1
SCHEMBL320356 0.75 NUDT1 (0.51) SMN1; SMN2KDM4EKMT2ANUDT1ADRA2B
SCHEMBL6265329 0.74 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EKMT2AHSP90AB1HSP90AA1
SCHEMBL1318124 0.72 PDPK1 (0.64)
SCHEMBL1317516 0.72 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2AHSP90AB1HSP90AA1
SCHEMBL1318222 0.71 CYP11B2 (0.44)
SCHEMBL3718901 0.70 HSP90AB1 (0.74) SMN1; SMN2KDM4EHSP90AB1HSP90AA1ADCY10
SCHEMBL1320790 0.69 KMT2A (0.63) SMN1; SMN2KDM4EKMT2ANUDT1HSP90AB1
SCHEMBL28335587 0.68 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EHSP90AB1HSP90AA1ADCY10
SCHEMBL31545352 0.67 SLC6A2 (0.60) KDM4EADRA2BADRA2CADRA1AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 SMN1; SMN2 4444/4885KDM4E 167/4885KMT2A 2173/4885

“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.