SCHEMBL4529923

SCHEMBL4529923

Nc1ccc2[nH]nc(C(=O)N3CCN4CCC3CC4)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
CHRNA7 P36544 2/20 0.41
DYRK1A Q13627 4/20 0.41
UGCG Q16739 3/20 0.40
RBP4 P02753 3/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HTR3A P46098 1/20 0.38
WNT1 P04628 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
AXL P30530 1/20 0.38

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
Formic Acid SCHEMBL1572911 0.96 CCNC (0.39) CCNCCDK8CHRNA7DYRK1AUGCG
SCHEMBL4232915 0.87 GSK3B (0.46) CCNCCDK8CHRNA7UGCGRBP4
SCHEMBL1573103 0.86 CCNC (0.42) CCNCCDK8DYRK1ARBP4JAK2
SCHEMBL1572778 0.85 CHRNA7 (0.52) CHRNA7RBP4HTR3AMAPT
SCHEMBL1573183 0.84 GSK3B (0.53) DYRK1AUGCGRBP4
Hydrochloric Acid SCHEMBL4223898 0.84 CHRNA7 (0.51) CHRNA7RBP4HTR3AMAPT
SCHEMBL1572980 0.83 MAPT (0.43) CCNCCDK8CHRNA7UGCGMAPT
SCHEMBL1572934 0.82 DYRK1A (0.47) CHRNA7DYRK1ARBP4
SCHEMBL1572635 0.82 LRRK2 (0.44) CHRNA7DYRK1AUGCGRBP4
SCHEMBL1635357 0.82 AHR (0.43) CHRNA7DYRK1AUGCGRBP4HTR3A

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCNC 3969/4885CDK8 1105/4885CHRNA7 1/4885

“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.