SCHEMBL17486178

SCHEMBL17486178

Cc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 2/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.33
NTSR1 P30989 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL17486227 0.95 HSD17B1 (0.41) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17486244 0.94 HSD17B1 (0.40) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17485968 0.91 HSD17B1 (0.43) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17485975 0.91 HSD17B1 (0.43) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17486034 0.91 HSD17B1 (0.36) L3MBTL1HSD17B1HSD17B2
SCHEMBL17486058 0.90 L3MBTL1 (0.45) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17486235 0.89 CYP3A4 (0.38) HSD17B1HSD17B2MEN1KMT2AALDH1A1
SCHEMBL17485962 0.89 HSD17B1 (0.38) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17486095 0.89 HSD17B1 (0.38) L3MBTL1HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17485974 0.88 HSD17B1 (0.37) L3MBTL1HSD17B1HSD17B2

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 L3MBTL1 3160/4885HSD17B1 4418/4885HSD17B2 4241/4885

“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.