SCHEMBL1044690

SCHEMBL1044690

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.59
ALK Q9UM73 8/20 0.54
INSR P06213 7/20 0.54
IGF1R P08069 7/20 0.54
PTK2 Q05397 2/20 0.52
CDC7 O00311 1/20 0.49
GSK3B P49841 1/20 0.49
MAPK7 Q13164 1/20 0.49
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL1044692 0.80 CDK2 (0.55) EGFRALKIGF1RCDC7GSK3B
SCHEMBL969794 0.79 EGFR (0.52) EGFRALKINSRIGF1RPTK2
SCHEMBL15190332 0.78 CDC7 (0.62) EGFRALKCDC7GSK3BLRRK2
SCHEMBL1046847 0.78 CDC7 (0.71) EGFRCDC7GSK3BLRRK2
SCHEMBL30020501 0.77 INSR (0.62) EGFRALKINSRIGF1RPTK2
SCHEMBL30341887 0.75 EGFR (1.00) EGFRALKINSRIGF1RPTK2
SCHEMBL517288 0.75 EGFR (1.00) EGFRALKINSRIGF1RPTK2
SCHEMBL1043643 0.72 CDC7 (0.62) EGFRALKCDC7GSK3BLRRK2
SCHEMBL517495 0.72 EGFR (0.85) EGFRALKINSRIGF1RPTK2
SCHEMBL26087590 0.72 ALK (0.73) EGFRALKINSRIGF1RPTK2

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 EGFR 1635/4885ALK 1717/4885INSR 2692/4885

“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.