SCHEMBL15427870

SCHEMBL15427870

CC1(C)c2cc3nc4c5ccccc5ccn4c3cc2C(C)(C)C1(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.37
PARP1 P09874 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HCRTR1 O43613 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR6 P50406 1/20 0.32
GALR3 O60755 1/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15428036 0.90 PRKDC (0.39) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL17084902 0.84 PRKDC (0.35) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL15428181 0.83 PRKDC (0.40) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL17084904 0.81 PRKDC (0.39) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL15428081 0.80 HPRT1 (0.34) PRKDCMAPTMAPK1ALDH1A1HSD17B10
SCHEMBL15427903 0.77 KDM4E (0.38) MAPTSMN1; SMN2TP53ALDH1A1KMT2A
SCHEMBL12145448 0.76 MAPT (0.43) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL15829300 0.74 PRKDC (0.42) PRKDCPARP1MAPTRAB9ASMN1; SMN2
SCHEMBL15427871 0.74 IKBKB (0.37) MAPTALDH1A1KMT2A
SCHEMBL15427869 0.73 PRKDC (0.38) PRKDCPARP1MAPTRAB9ASMN1; SMN2

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 3860/4885PARP1 1422/4885MAPT 1084/4885

“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.