SCHEMBL20368019

SCHEMBL20368019

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nccn43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
ADORA2A P29274 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PTAFR P25105 1/20 0.35
ATM Q13315 1/20 0.35
MAPK8 P45983 3/20 0.34
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL13309571 0.89 TACR1 (0.41) TACR1ADORA2APDE3BPDE3ACCNE1
SCHEMBL20368043 0.86 TACR1 (0.35) TACR1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL12759635 0.83 CCNE1 (0.40) TACR1ADORA2APDE3BPDE3ACCNE1
SCHEMBL840594 0.79 RORA (0.38) TACR1HPGDPTAFRMAPK8
SCHEMBL839833 0.78 ADORA2A (0.38) TACR1ADORA2AALDH1A1HPGDPTAFR
SCHEMBL20367998 0.78 TACR1 (0.39) TACR1ALDH1A1PDE3BPDE3ACCNE1
SCHEMBL17124141 0.77 ALDH1A1 (0.50) ALDH1A1ATMKDM4EPDE10AL3MBTL1
SCHEMBL20368018 0.76 KDM4E (0.39) TACR1ALDH1A1PTAFRATMMAPK8
SCHEMBL22262081 0.76 ESR1 (0.39) TACR1MEN1KMT2AALDH1A1MAPT
SCHEMBL839608 0.76 ROCK2 (0.36) TACR1ADORA2APTAFRMAPK8

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 TACR1 2203/4885ADORA2A 3327/4885MEN1 1294/4885
US-11495751-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM TACR1 2203/4885ADORA2A 3327/4885MEN1 1294/4885

“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.