SCHEMBL15840945

SCHEMBL15840945

Cc1cn2c3c(c(=O)nc2c2cccnc12)C(C)(C)OC3(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 4/20 0.34
HTT P42858 3/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
SLC6A2 P23975 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HSP90AA1 P07900 1/20 0.32
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL15840951 0.87 KDM4E (0.33) ALDH1A1HPGDKDM4E
SCHEMBL15840904 0.86 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL17298924 0.85 ELANE (0.35) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15840947 0.84 CASP3 (0.31) ALDH1A1HPGDKDM4EMAPTCASP3
SCHEMBL17268291 0.78 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15840953 0.77 CA1 (0.34) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15841004 0.76 BRD4 (0.38) HSD17B10
SCHEMBL17268290 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15840856 0.74 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15840855 0.74 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A

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-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 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 (2 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885HPGD 3882/4885KDM4E 3816/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885HPGD 3882/4885KDM4E 3816/4885

“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.