Sugi Predict

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SCHEMBL1044692

SCHEMBL1044692

CN1CCN(c2ccc(Nc3cc(-c4c[nH]c5ncccc45)cc(Cl)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.55
▸ CDC7 O00311 15/20 0.55
▸ ROCK2 O75116 14/20 0.55
▸ PRKACA P17612 14/20 0.55
▸ HIPK2 Q9H2X6 14/20 0.55
▸ GSK3B P49841 13/20 0.55
▸ PIM1 P11309 13/20 0.55
▸ CDK7 P50613 9/20 0.55
▸ CDK9 P50750 9/20 0.55
▸ IRAK4 Q9NWZ3 8/20 0.55
▸ FLT3 P36888 6/20 0.54
▸ CDK1 P06493 2/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CCNH P51946 1/20 0.54
▸ MNAT1 P51948 1/20 0.54
▸ CLK4 Q9HAZ1 10/20 0.54
▸ MAP4K4 O95819 10/20 0.54
▸ DYRK1A Q13627 8/20 0.54
▸ MELK Q14680 7/20 0.54

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
SCHEMBL1043643 0.90 CDC7 (0.62) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1045034 0.90 CDC7 (0.56) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1044627 0.89 CDC7 (0.55) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1044628 0.89 CDC7 (0.53) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1043902 0.88 CDC7 (0.55) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1050578 0.85 ROCK2 (0.52) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1050651 0.84 CDC7 (0.60) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1045853 0.83 ROCK2 (0.71) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1045597 0.82 CDC7 (0.63) CDK2CDC7ROCK2PRKACAHIPK2
SCHEMBL1046550 0.82 CDC7 (0.55) CDK2CDC7ROCK2PRKACAHIPK2

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 CDK2 52/4885CDC7 1/4885ROCK2 373/4885

“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.