SCHEMBL10065478

SCHEMBL10065478

CNCc1ccc(CNC)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.38
PRMT6 Q96LA8 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
ADRB2 P07550 1/20 0.32
PRKCI P41743 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL24468455 0.86 KDM4E (0.33) KDM4ECYP3A4MAPTTP53
SCHEMBL24468408 0.86 KDM4E (0.33) KDM4ECYP3A4MAPTTP53
SCHEMBL30841925 0.81 P2RX3 (0.33) KDM4ETP53SLC6A4MEN1KMT2A
SCHEMBL24468103 0.81 P2RX3 (0.33) KDM4ETP53SLC6A4MEN1KMT2A
SCHEMBL24468439 0.79 GLS (0.33) HTR2CSLC6A4
Hydrochloric Acid SCHEMBL29106380 0.78 GLS (0.33) KDM4ECYP3A4MAPT
SCHEMBL9290553 0.76
SCHEMBL30842033 0.73 KIF11 (0.42) SLC6A4
SCHEMBL24468416 0.73 KIF11 (0.42) SLC6A4
SCHEMBL523614 0.72 NPSR1 (0.54) KDM4ECYP3A4MAPTTP53PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290819-B2 Metal complexes MERCK PATENT GMBH (DE) 2019-05-14 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130284977-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
WO-2012079741-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-06-21 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-10290819-B2 Metal complexes PICALM, IMMT, IKZF3 KDM4E 4377/4885CYP3A4 1870/4885MAPT 2442/4885

“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.