SCHEMBL972547

SCHEMBL972547

NC1CCC(N)(c2cc(-c3c[nH]c4nccnc34)cc(Cl)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 18/20 0.38
PRKACA P17612 17/20 0.38
HIPK2 Q9H2X6 16/20 0.38
ROCK2 O75116 16/20 0.38
GSK3B P49841 15/20 0.38
PIM1 P11309 15/20 0.38
CDK2 P24941 15/20 0.38
MAP4K4 O95819 13/20 0.38
DAPK3 O43293 12/20 0.38
DYRK1A Q13627 12/20 0.38
CLK4 Q9HAZ1 12/20 0.38
PAK4 O96013 11/20 0.38
PRKX P51817 11/20 0.38
CDK5 Q00535 11/20 0.38
MELK Q14680 11/20 0.38
ROCK1 Q13464 11/20 0.38
PRKD3 O94806 10/20 0.38
CLK2 P49760 10/20 0.38
STK17A Q9UEE5 10/20 0.38
MAP4K2 Q12851 10/20 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
SCHEMBL1049919 0.84 CDC7 (0.59) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL968641 0.77 CDC7 (0.50) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL935536 0.73 CDC7 (0.65) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL2530181 0.72 CDC7 (0.64) CDC7PRKACAHIPK2ROCK2GSK3B
Ammonia Solution, Strong SCHEMBL1047128 0.71 CDC7 (0.61) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL934236 0.70 CDC7 (0.71) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL935168 0.69 CDC7 (0.58) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL935166 0.69 CDC7 (0.58) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL1049371 0.68 CDC7 (0.59) CDC7PRKACAHIPK2ROCK2GSK3B
SCHEMBL955884 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP claimed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 CDC7 1/4885PRKACA 125/4885HIPK2 445/4885

“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.