SCHEMBL17486267

SCHEMBL17486267

Cc1nc(Cl)nc(Oc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
LTA4H P09960 1/20 0.39
CYP1A2 P05177 4/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.37
PIN1 Q13526 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL49317 0.86 PAX8 (0.53) LMNAPAX8KDM4EHSP90AA1KMT2A
SCHEMBL14030941 0.86 PAX8 (0.58) LMNAHTTPAX8KDM4EKMT2A
SCHEMBL14264137 0.86 HTT (0.53) LMNAHTTPAX8KDM4EKMT2A
SCHEMBL1639470 0.86 KDM4E (0.50) LMNAPAX8KDM4EHSP90AA1KMT2A
SCHEMBL19965245 0.85 SCN9A (0.47) LMNAHTTHSP90AA1KMT2AMEN1
SCHEMBL11859472 0.81 MEN1 (0.53) LMNAHTTPAX8KDM4EHSP90AA1
SCHEMBL32688290 0.81 MEN1 (0.53) LMNAHTTPAX8KDM4EHSP90AA1
SCHEMBL14030947 0.79 ALDH1A1 (0.55) LMNAHTTPAX8KMT2AMEN1
SCHEMBL28198420 0.78 PAX8 (0.50) LMNAHTTPAX8KDM4EKMT2A
SCHEMBL14030967 0.78 NPC1 (0.54) LMNAHTTPAX8HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 LMNA 4436/4885HTT 1979/4885PAX8 2475/4885

“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.