SCHEMBL9985459

SCHEMBL9985459

CC(C)(C)c1ccc2c(Cl)nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
PARG Q86W56 1/20 0.34
SYK P43405 1/20 0.33
METAP1 P53582 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
DYRK1A Q13627 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HIPK2 Q9H2X6 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
SCHEMBL4187576 0.82 NT5E (0.42) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL21481038 0.81 CYP2A6 (0.42) LMNACYP3A4SYKPDE3BPDE3A
SCHEMBL9985956 0.79 NOS3 (0.40) SYK
SCHEMBL30505983 0.76 LMNA (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL28413526 0.75 POLB (0.33) CYP3A4
SCHEMBL10131797 0.75 LMNA (0.46) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL19496922 0.71 LMNA (0.40) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL22589531 0.71 CYP1A2 (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL2018538 0.69 SYK (0.38) LMNASYK
SCHEMBL9880933 0.68 LMNA (0.40) LMNACYP3A4MAPTAPEX1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
CN-104870459-B Metal complex 默克专利有限公司 2018-06-26 CN disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
EP-2935292-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2015-10-28 EP disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 WO disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 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 (3 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 LMNA 4436/4885CYP3A4 2252/4885MAPT 1084/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 LMNA 4436/4885CYP3A4 2252/4885MAPT 1084/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 LMNA 351/4885CYP3A4 2935/4885MAPT 1164/4885

“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.