SCHEMBL1176106

SCHEMBL1176106

O=C(c1n[nH]c2cc(-c3nccs3)ccc12)N1CC2CCC1CN2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.38
▸ CDK7 P50613 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ CDK2 P24941 2/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ RHOA P61586 1/20 0.34
▸ RBP4 P02753 2/20 0.34
▸ ABL1 P00519 3/20 0.33
▸ BCR P11274 3/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
Hydrochloric Acid SCHEMBL1175771 0.99 CHEK1 (0.37) CHEK1CDK7PTGDR2CDK2GSK3A
SCHEMBL1176703 0.84 CHEK1 (0.40) CHEK1CDK7PTGDR2CDK2GSK3A
Formic Acid SCHEMBL5562314 0.81 CHEK1 (0.38) CHEK1CDK7PTGDR2CDK2GSK3A
SCHEMBL1176364 0.81 CHEK1 (0.40) CHEK1CDK7PTGDR2GSK3BABL1
SCHEMBL1176658 0.81 CHEK1 (0.40) CHEK1CDK7PTGDR2GSK3BABL1
SCHEMBL1572454 0.80 CHEK1 (0.40) CHEK1CDK7PTGDR2CDK2GSK3A
SCHEMBL1176110 0.78 EIF4A3 (0.47) CDK2RBP4
Formic Acid SCHEMBL5562752 0.78 CHEK1 (0.38) CHEK1CDK7PTGDR2GSK3BABL1
SCHEMBL1176698 0.77 RBP4 (0.42) CDK2GSK3BRBP4
Hydrochloric Acid SCHEMBL1175794 0.77 EIF4A3 (0.46) CDK2RBP4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824578-B2 — — 2011-11-30 — — JP claimed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
EP-1697378-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-09-06 — — EP claimed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 — — US claimed
WO-2005063767-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-14 — — WO claimed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 — — US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US disclosed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP disclosed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP disclosed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 — — 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 (3 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-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 CHEK1 2518/4885CDK7 217/4885PTGDR2 1349/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 CHEK1 2518/4885CDK7 217/4885PTGDR2 1349/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 CHEK1 2518/4885CDK7 217/4885PTGDR2 1349/4885

“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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