SCHEMBL2963034

SCHEMBL2963034

C1=Cc2cc3[nH]c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)c(-c1ncc[nH]1)c3-c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ADK P55263 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ ADRA2A P08913 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 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
SCHEMBL3520926 0.88 ADORA2A (0.33) NISCHMTORADKSTAT3STAT1
SCHEMBL2955031 0.84 STAT3 (0.52) NISCHMTORADKSTAT3STAT1
SCHEMBL3556863 0.84 TLR9 (0.33) ALDH1A1KDM4ETLR9TLR8TLR7
SCHEMBL2963039 0.82 STAT3 (0.50) NISCHMTORADKSTAT3STAT1
SCHEMBL2955029 0.82 IDO1 (0.36) NISCHMTORADKSTAT3STAT1
SCHEMBL2962139 0.81 IDO1 (0.35) NISCHMTORADKSTAT3STAT1
SCHEMBL3336067 0.78 STAT3 (0.31) NISCHMTORADKSTAT3STAT1
Hydrochloric Acid SCHEMBL30657446 0.75 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL30497559 0.75 STAT3 (0.40) STAT3STAT1
Hydrochloric Acid SCHEMBL9238241 0.75 STAT3 (0.40) STAT3STAT1

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
EP-1690865-B1 PORPHYRIN/PHTHALOCYANINE DIMER AND TETRAMER DIRECTLY BONDED AT PI SYSTEM AND PROCESSES FOR PRODUCING THESE NAT UNIV CORP NARA INST (JP) 2012-09-05 — — EP disclosed
US-7767808-B2 for photoelectric conversion elements National University Corporation NARA Institute of Science and Technology (JP) 2010-08-03 — — US disclosed
US-20060217538-A1 Porphyrin-phthalocyanine dimer and tetramer having directly-bound Pi electron systems and production method thereof NATIONAL UNIVERSITY CORPORATION, NARA INSTITUTE OF SCIENCE AND TECHNOLOGY (JP) 2006-09-28 — — US disclosed
EP-1690865-A1 PORPHYRIN/PHTHALOCYANINE DIMER AND TETRAMER DIRECTLY BONDED AT PI SYSTEM AND PROCESSES FOR PRODUCING THESE National University Corporation Nara Institute of Science and Technology (JP) 2006-08-16 — — EP 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-20060217538-A1 Porphyrin-phthalocyanine dimer and tetramer having directly-bound Pi electron systems and production method thereof CYC1, RRP12, PPOX NISCH 2190/4885MTOR 3777/4885ADK 3715/4885

“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.

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