SCHEMBL12284686

SCHEMBL12284686

COc1cncc(C=CC#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.58
MAP4K4 O95819 2/20 0.58
PRKACA P17612 2/20 0.58
ROCK1 Q13464 2/20 0.58
DYRK1A Q13627 2/20 0.58
PKN2 Q16513 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
MKNK2 Q9HBH9 2/20 0.58
STK17A Q9UEE5 2/20 0.58
NTRK3 Q16288 1/20 0.58
CLK1 P49759 1/20 0.42
FDPS P14324 1/20 0.42
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AURKA O14965 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
SCHEMBL14954701 1.00 ROCK2 (0.58) ROCK2MAP4K4PRKACAROCK1DYRK1A
SCHEMBL597012 0.80 CYP1A1 (0.64) FDPSCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL597011 0.80 CYP1A1 (0.64) FDPSCYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL14962250 0.77 RAF1 (0.41) ROCK2MAP4K4PRKACAROCK1DYRK1A
SCHEMBL9000616 0.75 ROCK2 (0.67) ROCK2MAP4K4PRKACAROCK1DYRK1A
SCHEMBL16111343 0.75 ROCK2 (0.57) ROCK2MAP4K4PRKACAROCK1DYRK1A
SCHEMBL6833668 0.74 ROCK2 (1.00) ROCK2MAP4K4PRKACAROCK1DYRK1A
SCHEMBL8928081 0.74 RELA (0.61) FDPSCYP1A1CYP1B1CYP1A2
SCHEMBL8928082 0.74 RELA (0.61) FDPSCYP1A1CYP1B1CYP1A2
SCHEMBL25404064 0.74 MKNK2 (0.59) ROCK2MAP4K4PRKACAROCK1DYRK1A

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-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
WO-2011130146-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO 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-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 ROCK2 1213/4885MAP4K4 258/4885PRKACA 55/4885

“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.