SCHEMBL1861760

SCHEMBL1861760

CN(C)CCCOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4cccc(OCCCN(C)C)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ CHEK2 O96017 2/20 0.47
▸ DYRK3 O43781 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PDGFRB P09619 1/20 0.39

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
SCHEMBL14383960 0.94 STAT3 (0.46) STAT3STAT1CHEK2DYRK3MAP4K4
SCHEMBL1854874 0.86 STAT3 (0.55) STAT3STAT1CHEK2
SCHEMBL585272 0.86 STAT3 (0.55) STAT3STAT1CHEK2DYRK3MAP4K4
SCHEMBL12057412 0.86 STAT3 (0.46) STAT3STAT1CHEK2ALOX5
SCHEMBL584793 0.86 STAT3 (0.52) STAT3STAT1CHEK2DYRK3MAP4K4
Hydrochloric Acid SCHEMBL29883333 0.85 STAT3 (0.51) STAT3STAT1CHEK2DYRK3MAP4K4
Hydrochloric Acid SCHEMBL584374 0.85 STAT3 (0.51) STAT3STAT1CHEK2DYRK3MAP4K4
SCHEMBL584663 0.84 STAT3 (0.44) STAT3STAT1CHEK2ADORA2AADORA1
SCHEMBL14271575 0.84 STAT3 (0.47) STAT3STAT1CHEK2PDGFRBPDGFRA
SCHEMBL1856477 0.84 STAT3 (0.50) STAT3STAT1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP disclosed
US-20060040914-A1 Meso-substituted porphyrins L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2006-02-23 — — US disclosed
EP-1558616-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA' DI ESERCIZIO SOCIETA' PER AZIONI (IT) 2005-08-03 — — EP disclosed
WO-2004035590-A2 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A (IT) 2004-04-29 — — 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-20060040914-A1 Meso-substituted porphyrins PPOX, PPIF, ALAD STAT3 4208/4885STAT1 3609/4885CHEK2 2166/4885

“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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