SCHEMBL1572454

SCHEMBL1572454

O=C(c1n[nH]c2cc(-c3nccs3)ccc12)N1CCN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ ABL1 P00519 4/20 0.37
▸ BCR P11274 4/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ UGCG Q16739 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CPT1A P50416 1/20 0.34

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
SCHEMBL1572800 0.92 DYRK1A (0.39) CHEK1CDK7ABL1BCRGSK3B
Hydrochloric Acid SCHEMBL1572772 0.91 DYRK1A (0.38) CHEK1CDK7ABL1BCRGSK3B
SCHEMBL1572482 0.83 CDK2 (0.52) CHEK1CDK2GSK3AGSK3BCHRNA7
SCHEMBL1572497 0.83 HAO1 (0.39) ABL1BCRGSK3BCHRNA7UGCG
SCHEMBL1572745 0.83 GSK3B (0.43) ABL1BCRGSK3BCHRNA7UGCG
SCHEMBL1176703 0.81 CHEK1 (0.40) CHEK1CDK7ABL1BCRCDK2
SCHEMBL1572993 0.81 CHRNA7 (0.42) ABL1BCRCDK2GSK3AGSK3B
SCHEMBL1176106 0.80 CHEK1 (0.38) CHEK1CDK7ABL1BCRCDK2
Hydrochloric Acid SCHEMBL1572719 0.80 CHRNA7 (0.41) ABL1BCRCDK2GSK3AGSK3B
Hydrochloric Acid SCHEMBL1175771 0.80 CHEK1 (0.37) CHEK1CDK7ABL1BCRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 — — EP claimed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 — — US claimed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 — — EP claimed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 — — US claimed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 — — WO claimed
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 — — EP disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 — — US disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 — — US disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 — — US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 — — US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 — — US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 — — US disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 — — EP disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 — — US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 — — 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-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF CHRNA7, CHRNA1, CHRNA5 CHEK1 2029/4885CDK7 250/4885ABL1 3245/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 CHEK1 2029/4885CDK7 250/4885ABL1 3245/4885

“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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