Sugi Predict

Sugi Predict / Compounds / SCHEMBL492831

SCHEMBL492831

SCHEMBL492831

O=C(O)c1nsc2c(N3CC[C@@H](O)C3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 1/20 0.40
▸ PRKDC P78527 2/20 0.38
▸ NOTUM Q6P988 4/20 0.37
▸ CCNE2 O96020 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ PRKAB2 O43741 4/20 0.34
▸ PRKAG1 P54619 4/20 0.34
▸ PRKAA2 P54646 4/20 0.34
▸ PRKAA1 Q13131 4/20 0.34
▸ PRKAG3 Q9UGI9 4/20 0.34
▸ PRKAG2 Q9UGJ0 4/20 0.34
▸ PRKAB1 Q9Y478 4/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ SLC16A3 O15427 2/20 0.33
▸ SLC16A1 P53985 2/20 0.33
▸ PIN1 Q13526 2/20 0.33
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL492992 1.00 F9 (0.40) F9PRKDCNOTUMCCNE2CCNE1
SCHEMBL492580 0.81 CHRNA7 (0.51) —
SCHEMBL492355 0.81 CHRNA7 (0.51) —
SCHEMBL14542730 0.78 F9 (0.39) F9
SCHEMBL492891 0.73 ABL1 (0.42) PRKDCNOTUMCDK2PRKAG1PRKAA1
SCHEMBL492722 0.73 ABL1 (0.42) PRKDCNOTUMCDK2PRKAG1PRKAA1
SCHEMBL28686167 0.69 NOTUM (0.55) NOTUMPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28697278 0.69 NOTUM (0.55) NOTUMPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL492608 0.68 ACACB (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17187998 0.68 F9 (0.50) F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 — — US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 — — US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 — — US disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 — — 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 F9 3565/4885PRKDC 4310/4885NOTUM 2486/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 F9 3565/4885PRKDC 4310/4885NOTUM 2486/4885

“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.