SCHEMBL11913101

SCHEMBL11913101

CC(C)(N)c1ccc(-c2ccc3[nH]nc(C=O)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.46
▸ JAK3 P52333 4/20 0.43
▸ PLK4 O00444 3/20 0.40
▸ DAPK3 O43293 3/20 0.40
▸ DYRK3 O43781 3/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ MAP4K4 O95819 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ MARK3 P27448 3/20 0.40
▸ TYK2 P29597 3/20 0.40
▸ CLK2 P49760 3/20 0.40
▸ CDK5 Q00535 3/20 0.40
▸ PRKCD Q05655 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ PKN2 Q16513 3/20 0.40
▸ MARK2 Q7KZI7 3/20 0.40
▸ AURKB Q96GD4 3/20 0.40
▸ PRKD2 Q9BZL6 3/20 0.40

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
SCHEMBL11911421 0.86 JAK2 (0.43) JAK2JAK3PLK4DAPK3DYRK3
SCHEMBL13011677 0.83 JAK2 (0.44) JAK2JAK3PLK4DAPK3DYRK3
SCHEMBL1142337 0.83 JAK2 (0.44) JAK2JAK3PLK4DAPK3DYRK3
SCHEMBL1142340 0.83 JAK2 (0.44) JAK2JAK3PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL1141267 0.82 JAK2 (0.43) JAK2JAK3PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL1141269 0.82 JAK2 (0.43) JAK2JAK3PLK4DAPK3DYRK3
SCHEMBL1142228 0.81 JAK2 (0.64) JAK2JAK3PLK4DAPK3DYRK3
Hydrochloric Acid SCHEMBL1141989 0.80 JAK2 (0.62) JAK2JAK3PLK4DAPK3DYRK3
SCHEMBL13183156 0.80 JAK2 (0.61) JAK2DYRK3MAP4K4CDK1CDK2
SCHEMBL13183137 0.79 JAK2 (0.44) JAK2JAK3PLK4DAPK3DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 — — US disclosed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 — — US disclosed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 — — US disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 — — US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 — — 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-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 JAK2 313/4885JAK3 750/4885PLK4 1713/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 JAK2 317/4885JAK3 684/4885PLK4 1692/4885

“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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