SCHEMBL1045027

SCHEMBL1045027

O=C(CN1CCN(C2CCCCC2)CC1)NC1CCC(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 20/20 0.66
▸ GSK3B P49841 8/20 0.66
▸ DYRK1A Q13627 9/20 0.53
▸ PRKACA P17612 9/20 0.53
▸ CDK8 P49336 8/20 0.53
▸ CLK4 Q9HAZ1 8/20 0.53
▸ HIPK2 Q9H2X6 8/20 0.53
▸ DAPK3 O43293 7/20 0.53
▸ PRKX P51817 7/20 0.53
▸ MINK1 Q8N4C8 7/20 0.53
▸ MAP4K5 Q9Y4K4 7/20 0.53
▸ PKN2 Q16513 6/20 0.53
▸ PAK4 O96013 6/20 0.53
▸ MAP4K2 Q12851 6/20 0.53
▸ STK3 Q13188 6/20 0.53
▸ DYRK1B Q9Y463 5/20 0.53
▸ MELK Q14680 5/20 0.53
▸ RPS6KA3 P51812 3/20 0.53
▸ LRRK2 Q5S007 3/20 0.53
▸ IRAK4 Q9NWZ3 3/20 0.53

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
SCHEMBL1045026 1.00 CDC7 (0.66) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1047020 0.89 CDC7 (0.62) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1047021 0.89 CDC7 (0.62) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1046160 0.88 CDC7 (0.63) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1046162 0.88 CDC7 (0.63) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1044617 0.87 CDC7 (0.59) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1044619 0.87 CDC7 (0.59) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1046434 0.87 CDC7 (0.59) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1046433 0.87 CDC7 (0.59) CDC7GSK3BDYRK1APRKACACDK8
SCHEMBL1047131 0.87 CDC7 (0.59) CDC7GSK3BDYRK1APRKACACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 — — EP claimed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 — — US claimed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 — — EP claimed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — WO claimed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — US claimed
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 — — EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 — — US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 — — EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 — — WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CDC7 1/4885GSK3B 442/4885DYRK1A 355/4885

“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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