SCHEMBL2632325

SCHEMBL2632325

COc1ccc(N(C2=NC3=NC(N(c4ccccc4)c4ccc(OC)cc4)=NC4=NC(N(c5ccccc5)c5ccc(OC)cc5)=NC(=N2)N34)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
PDGFRB P09619 2/20 0.40
KDR P35968 2/20 0.40
CA4 P22748 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.38
CASP14 P31944 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CASP12 Q6UXS9 1/20 0.38
CASP10 Q92851 1/20 0.38
MERTK Q12866 2/20 0.37

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
SCHEMBL2623721 0.94 ACHE (0.42) EGFRPDGFRBKDRCA4LTA4H
SCHEMBL2623728 0.85 L3MBTL1 (0.37) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL26044334 0.80 MEN1 (0.39) KMT2ACSF1R
SCHEMBL2623720 0.78 ALDH1A1 (0.33) KDM4EKMT2ATP53ALDH1A1LMNA
SCHEMBL26044051 0.77 HPGD (0.35) EGFRCA4HPGDKMT2ATP53
SCHEMBL26043018 0.77 KCNN4 (0.36) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL26043057 0.77 KCNN4 (0.36) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL2623761 0.77 KDM4C (0.39) CASP1ALDH1A1LMNASMN1; SMN2
SCHEMBL26043030 0.77 MEN1 (0.36) KMT2A
SCHEMBL13720899 0.77 CA4 (0.59) CA4LTA4HKDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
WO-2010132953-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 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 (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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 EGFR 3681/4885PDGFRB 4559/4885KDR 2897/4885

“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.