SCHEMBL21725404

SCHEMBL21725404

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc[nH]5)c5ccccc45)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ADORA2A P29274 1/20 0.40
MCL1 Q07820 2/20 0.39
ACMSD Q8TDX5 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL21725377 0.89 MEN1 (0.43) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL21725421 0.88 PIM1 (0.45) ENPP3ENPP1MCL1ACMSDKDM4E
SCHEMBL17969975 0.85 ENPP3 (0.53) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL19397409 0.84 ENPP3 (0.51) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL19650630 0.84 MEN1 (0.45) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL19650575 0.84 ENPP1 (0.42) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL19650656 0.83 CYP1A1 (0.47) ADORA2AKDM4EALDH1A1MAPTHPGD
SCHEMBL19009501 0.82 ENPP1 (0.55) ENPP3ENPP1MCL1ACMSDKDM4E
SCHEMBL19650544 0.81 MEN1 (0.40) ENPP3ENPP1ADORA2AMCL1ACMSD
SCHEMBL19397514 0.81 MCL1 (0.46) ENPP3ENPP1ADORA2AMCL1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10566543-B2 Pyrimidine derivative and organic electroluminescent devices HODOGAYA CHEMICAL CO., LTD. (JP) 2020-02-18 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-10566543-B2 Pyrimidine derivative and organic electroluminescent devices TYMS, TYMP, DPYD ENPP3 69/4885ENPP1 73/4885ADORA2A 388/4885

“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.