SCHEMBL1901750

SCHEMBL1901750

Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.75
▸ MAPT P10636 2/20 0.72
▸ TP53 P04637 1/20 0.72
▸ LMNA P02545 2/20 0.71
▸ TSHR P16473 2/20 0.71
▸ ALOX15 P16050 1/20 0.71
▸ NPY1R P25929 1/20 0.71
▸ NPY2R P49146 1/20 0.71
▸ USP2 O75604 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.67

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
SCHEMBL28787669 0.86 MAPT (0.87) BCHEMAPTTP53LMNATSHR
SCHEMBL28787628 0.86 MAPT (0.82) BCHEMAPTTP53
SCHEMBL1900273 0.86 BCHE (0.77) BCHEMAPTTP53LMNATSHR
SCHEMBL29728192 0.86 MAPT (0.87) BCHEMAPTTP53LMNATSHR
SCHEMBL28787664 0.86 MAPT (0.85) BCHEMAPTTP53
SCHEMBL29728191 0.86 MAPT (0.85) BCHEMAPTTP53
SCHEMBL28787629 0.85 BCHE (1.00) BCHEMAPTTP53LMNATSHR
SCHEMBL29728204 0.85 BCHE (1.00) BCHEMAPTTP53LMNATSHR
SCHEMBL29728188 0.85 BCHE (0.78) BCHEMAPTTP53LMNATSHR
SCHEMBL28944914 0.85 BCHE (0.78) BCHEMAPTTP53LMNATSHR

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 11 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 claimed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 — — EP claimed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US claimed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 — — US claimed
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 — — EP disclosed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 — — EP disclosed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 — — EP 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
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 — — US 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-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP BCHE 321/4885MAPT 256/4885TP53 1286/4885
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP BCHE 321/4885MAPT 256/4885TP53 1286/4885

“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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