SCHEMBL2603495

SCHEMBL2603495

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL2618769 0.94 KDM4E (0.37) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL2603584 0.93 KDM4E (0.37) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL19104497 0.92 KDM4E (0.35) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL2603571 0.92 L3MBTL1 (0.39) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL19104495 0.91 MEN1 (0.34) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL20127174 0.91 KDM4E (0.38) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL19104501 0.90 KDM4E (0.35) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL2603493 0.90 MEN1 (0.38) KDM4EATMMEN1LMNAMAPT
SCHEMBL105878 0.90 KDM4E (0.41) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL12170940 0.89 KDM4E (0.38) KDM4EATML3MBTL1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-26 US 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-20120097899-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, ICMT, NUDC KDM4E 3141/4885ATM 4217/4885L3MBTL1 4499/4885

“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.