SCHEMBL15428181

SCHEMBL15428181

CC1(C)CC(C)(C)c2cc3c(cc21)nc1c2ccccc2ccn31

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.40
MTOR P42345 1/20 0.38
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PARP1 P09874 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 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
SCHEMBL17084904 0.87 PRKDC (0.39) PRKDCMTORKMT2ARXFP1PARP1
SCHEMBL15428036 0.85 PRKDC (0.39) PRKDCMTORKMT2ARXFP1PARP1
SCHEMBL15428067 0.84 PDE10A (0.36)
SCHEMBL15428068 0.84 MEN1 (0.35) KMT2AMAPTMAPK1HCRTR1KDM4E
SCHEMBL15427870 0.83 PRKDC (0.37) PRKDCMTORKMT2ARXFP1PARP1
SCHEMBL17084902 0.80 PRKDC (0.35) PRKDCMTORKMT2ARXFP1PARP1
SCHEMBL15428062 0.79
SCHEMBL17084907 0.79 KDM4E (0.38) KMT2AMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15427869 0.79 PRKDC (0.38) PRKDCMTORKMT2ARXFP1PARP1
SCHEMBL12145448 0.77 MAPT (0.43) PRKDCMTORKMT2ARXFP1PARP1

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 PRKDC 3860/4885MTOR 4584/4885KMT2A 2922/4885

“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.