SCHEMBL15428018

SCHEMBL15428018

CN1C2(C)CCC1(C)c1cc(N)c(N)cc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PTK2B Q14289 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15427862 0.73 PTK2 (0.42) PTK2TP53CYP3A4THRBALOX15
SCHEMBL15428009 0.71 SRD5A1 (0.38) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL16905542 0.70 PTK2 (0.44) PTK2TP53CYP3A4THRBALOX15
SCHEMBL21440629 0.70 PTK2 (0.44) PTK2TP53CYP3A4THRBALOX15
SCHEMBL9867812 0.70 PTK2 (0.44) PTK2TP53CYP3A4THRBALOX15
SCHEMBL15427830 0.67 PTK2 (0.40) PTK2TP53CYP3A4THRBALOX15
SCHEMBL15428156 0.65 PTK2 (0.44) PTK2TP53CYP3A4THRBALOX15
SCHEMBL15427712 0.65 PTK2 (0.38) PTK2TP53CYP3A4THRBALOX15
SCHEMBL21440625 0.64 RXRA (0.38) PTK2TP53CYP3A4THRBALOX15
Hydrochloric Acid SCHEMBL17075278 0.64 PTK2 (0.42) PTK2TP53CYP3A4THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 PTK2 3420/4885KDM4E 3816/4885GAA 3358/4885

“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.