SCHEMBL574118

SCHEMBL574118

c1ccc2c(c1)sc1[nH]c3sc4ccccc4c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.52
TNKS O95271 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAP3K9 P80192 3/20 0.39
MAP3K11 Q16584 3/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL31606611 0.83 TNKS (0.59) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL573921 0.83 TNKS (0.59) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL31379851 0.80 MAPT (0.58) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL16751666 0.80 GABRA1 (0.46) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL18018248 0.78 TNKS (0.50) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL16751658 0.77 GABRA1 (0.51) TNKSTNKS2MAPTMEN1KMT2A
SCHEMBL16276646 0.73 CDK4 (0.46) TNKSTNKS2MAPTMEN1KMT2A
SCHEMBL20806497 0.73 TNKS2 (0.45) TNKSTNKS2MAPTMEN1KMT2A
SCHEMBL17010959 0.72 GPR3 (0.60) GPR3TNKSTNKS2MAPTMEN1
SCHEMBL1636538 0.72 GPR3 (0.68) GPR3TNKSTNKS2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10749117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-10749117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20130126792-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-05-23 US disclosed
WO-2012016630-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-02-09 WO disclosed
WO-2012016630-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-02-09 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 (2 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-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, CYP2C19, SDHB GPR3 4729/4885TNKS 3366/4885TNKS2 3868/4885
US-10749117-B2 Materials for electronic devices EFNA1, CYP2C19, SDHB GPR3 4729/4885TNKS 3366/4885TNKS2 3868/4885

“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.