SCHEMBL12662229

SCHEMBL12662229

O=C(Nc1ccccn1)c1cccc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.42
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ FGFR3 P22607 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DHODH Q02127 5/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL12662319 1.00 ALK (0.42) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL12662699 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL17787682 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL17787707 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL17787690 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL12662584 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL12662718 0.91 ALK (0.41) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL1889790 0.88 PARP1 (0.44) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL1889787 0.88 PARP1 (0.44) ALKPRMT5WDR77FGFR3NPC1
SCHEMBL1887451 0.86 RAB9A (0.41) NPC1RAB9APDE3BPDE3AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 — — EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 — — US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALK 4852/4885PRMT5 568/4885WDR77 2991/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALK 4845/4885PRMT5 693/4885WDR77 2715/4885

“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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