SCHEMBL1902176

SCHEMBL1902176

CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ KDM4E B2RXH2 4/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ THRB P10828 1/20 0.59
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ POLB P06746 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ NSD2 O96028 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ USP2 O75604 1/20 0.55

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
SCHEMBL1902177 1.00 MAPT (0.62) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL27983608 0.78 MAPT (0.82) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL10476367 0.76 MAPT (0.55) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL5594048 0.76 MAPT (0.55) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL10476384 0.75 THRB (0.79) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL7654815 0.75 KMT2A (0.56) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL12351215 0.74 MAPT (0.65) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL10476385 0.74 KMT2A (0.73) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL10476383 0.74 KMT2A (0.73) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL26762350 0.73 THRB (0.64) MAPTMEN1KMT2AKDM4ENPSR1

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
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 — — EP disclosed
US-7998974-B2 Fused heterocyclic compounds and their use as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
US-7998974-B2 Fused heterocyclic compounds and their use as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2011-08-16 — — US disclosed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 — — EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 — — US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 — — US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
US-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SITRIS PHARMACEUTICALS, INC. (US) 2009-06-04 — — US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1472245-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 Vertex Pharmaceuticals Incorporated (US) 2004-11-03 — — EP disclosed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 — — US disclosed
WO-2003066629-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-14 — — 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 (4 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-20090143376-A1 Fused Heterocyclic Compounds and Their Use as Sirtuin Modulators SIRT1, SIRT3, SIRT2 MAPT 215/4885MEN1 4100/4885KMT2A 743/4885
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP MAPT 256/4885MEN1 4588/4885KMT2A 2220/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B MAPT 1946/4885MEN1 2682/4885KMT2A 422/4885
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP MAPT 256/4885MEN1 4588/4885KMT2A 2220/4885

“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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