SCHEMBL20368017

SCHEMBL20368017

Brc1cnc2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 6/20 0.34
ABCB1 P08183 1/20 0.34
ATM Q13315 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL20367999 0.86 PDE1A (0.36) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL20368007 0.79 KDM4E (0.37) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL20367926 0.78 KDM4E (0.37) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL20367977 0.77 PDE5A (0.46) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL29516462 0.77 PDE1A (0.39) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL17557189 0.77 PDE1A (0.39) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL840967 0.77 IKBKB (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL10023500 0.76 KMT2A (0.36) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10023172 0.76 KDM4E (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL840598 0.76 CHRNB4 (0.45) PDE1APDE1BPDE3BPDE1CPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11495751-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-11-08 US disclosed
US-20210305518-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
WO-2018127465-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-07-12 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-20210305518-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM PDE1A 4799/4885PDE1B 4773/4885PDE3B 3642/4885
US-11495751-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM PDE1A 4799/4885PDE1B 4773/4885PDE3B 3642/4885

“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.