SCHEMBL13183156

SCHEMBL13183156

O=Cc1n[nH]c2ccc(-c3ccccc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.61
▸ MKNK1 Q9BUB5 1/20 0.56
▸ CHEK1 O14757 7/20 0.52
▸ TTK P33981 2/20 0.50
▸ GSK3B P49841 2/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ AXL P30530 1/20 0.48
▸ CDK2 P24941 2/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CLK2 P49760 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ DCLK1 O15075 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CHEK2 O96017 1/20 0.44

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
SCHEMBL13183137 0.86 JAK2 (0.44) JAK2MKNK1CHEK1GSK3BCDK2
SCHEMBL13183135 0.85 DYRK1A (0.47) JAK2MKNK1CHEK1TTKGSK3B
SCHEMBL5511824 0.81 CHEK1 (0.78) JAK2MKNK1CHEK1CDK2CDK1
SCHEMBL5511827 0.81 CHEK1 (0.78) JAK2MKNK1CHEK1CDK2CDK1
SCHEMBL11913101 0.80 JAK2 (0.46) JAK2MKNK1TTKGSK3ACDK2
SCHEMBL25419245 0.78 TRPA1 (0.52) JAK2CLK4HPGDKDM4EALDH1A1
SCHEMBL31472533 0.78 TRPA1 (0.52) JAK2CLK4HPGDKDM4EALDH1A1
SCHEMBL17306449 0.78 MKNK1 (0.87) JAK2MKNK1TTKGSK3BGSK3A
SCHEMBL13548700 0.77 KDR (0.56) CHEK1TTKCDK4CCND1CCND3
SCHEMBL26393980 0.77 GSK3B (0.57) JAK2MKNK1CHEK1TTKGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790722-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-09-07 — — 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

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-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 JAK2 1182/4885MKNK1 2098/4885CHEK1 2518/4885

“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.

Send feedback