SCHEMBL11911447

SCHEMBL11911447

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
JAK2 O60674 7/20 0.42
GSK3B P49841 1/20 0.42
PDPK1 O15530 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40
JAK3 P52333 2/20 0.40
NTRK1 P04629 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
XDH P47989 1/20 0.38
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36

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
SCHEMBL1141677 0.89 JAK2 (0.43) JAK2PDPK1JAK3NTRK1MKNK1
Hydrochloric Acid SCHEMBL1141713 0.88 JAK2 (0.43) JAK2PDPK1JAK3NTRK1MKNK1
SCHEMBL13552135 0.79 KIF11 (0.42) KIF11JAK2GSK3BPDPK1ALDH1A1
SCHEMBL12907189 0.79 JAK2 (0.66) JAK2PDPK1ALDH1A1MITFTP53
SCHEMBL22339348 0.79 JAK2 (0.51) KIF11JAK2GSK3BPDPK1ALDH1A1
SCHEMBL3781571 0.79 JAK2 (0.46) JAK2GSK3BJAK3NTRK1PRKAG1
SCHEMBL11911446 0.74 JAK2 (0.42) KIF11JAK2GSK3BPDPK1ALDH1A1
SCHEMBL11911448 0.74 GSK3B (0.47) KIF11JAK2GSK3BPDPK1ALDH1A1
SCHEMBL14818880 0.73 MAP2K4 (0.49) ALDH1A1NTRK1KDM4EMAPTMAPK1
SCHEMBL11911444 0.73 PRKAG1 (0.67) JAK2GSK3BJAK3PRKAG1PRKAA1

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-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

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-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 KIF11 1302/4885JAK2 317/4885GSK3B 1341/4885

“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.