SCHEMBL15829323

SCHEMBL15829323

O=c1nc2c3ccccc3ccn2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PRKDC P78527 9/20 0.49
MTOR P42345 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
HCRTR1 O43613 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RCE1 Q9Y256 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL15829531 0.84 MAPT (0.47) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL15829525 0.82 PARP1 (0.47) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL19794409 0.80 HSD17B10 (0.38) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL1369733 0.79 KDM4E (0.46) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL15829532 0.78 PARP1 (0.41) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL15829300 0.77 PRKDC (0.42) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL15829297 0.76 PRKDC (0.44) PARP1PRKDCMTORSMN1; SMN2RAB9A
SCHEMBL18015485 0.75 PRMT5 (0.39) PARP1PRKDCMTORTP53
SCHEMBL15829527 0.75 KDM4E (0.44) SMN1; SMN2RAB9AMAPTTP53MAPK1
SCHEMBL15829529 0.74 MAPT (0.44) PARP1PRKDCMTORSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
WO-2020212296-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
EP-2935293-B1 IRIDIUM COMPLEXES AND THEIR USE IN ELECTRONIC DEVICES, ESPECIALLY ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-21 EP disclosed
EP-2935293-B1 IRIDIUM COMPLEXES AND THEIR USE IN ELECTRONIC DEVICES, ESPECIALLY ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-21 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3328872-B1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-29 EP disclosed
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2017016634-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-02-02 WO disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
WO-2014094962-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 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 (4 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC PARP1 318/4885PRKDC 2721/4885MTOR 4657/4885
US-20150318498-A1 Metal Complexes SOD1, AP1M1, AP3M1 PARP1 1422/4885PRKDC 3860/4885MTOR 4584/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PARP1 1151/4885PRKDC 3329/4885MTOR 4597/4885
US-20180226591-A1 ELECTROLUMINESCENT BRIDGED METAL COMPLEXES FOR USE IN ELECTRONIC DEVICES EED, SOD1, NBAS PARP1 1562/4885PRKDC 4246/4885MTOR 4614/4885

“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.