SCHEMBL1042691

SCHEMBL1042691

Clc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)cc(NC2CCCCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.66
GSK3B P49841 2/20 0.66
MAPK9 P45984 3/20 0.50
PRKD2 Q9BZL6 3/20 0.50
CHEK1 O14757 2/20 0.50
MAPK13 O15264 2/20 0.50
DAPK3 O43293 2/20 0.50
DYRK3 O43781 2/20 0.50
PRKCG P05129 2/20 0.50
CDK1 P06493 2/20 0.50
FER P16591 2/20 0.50
PRKACA P17612 2/20 0.50
RPS6KB1 P23443 2/20 0.50
MARK3 P27448 2/20 0.50
MAPK1 P28482 2/20 0.50
FLT4 P35916 2/20 0.50
CSNK1D P48730 2/20 0.50
CDK8 P49336 2/20 0.50
GSK3A P49840 2/20 0.50
IRAK1 P51617 2/20 0.50

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
SCHEMBL1044047 0.88 CDC7 (0.66) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL15190253 0.86 CDC7 (0.72) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1042737 0.86 CDC7 (0.63) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1045473 0.85 CDC7 (0.65) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1046429 0.85 CDC7 (0.67) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1043995 0.85 CDC7 (0.75) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1045872 0.85 CDC7 (0.61) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1043320 0.85 CDC7 (0.64) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1045052 0.85 CDC7 (0.69) CDC7GSK3BMAPK9PRKD2CHEK1
SCHEMBL1045896 0.85 CDC7 (0.69) CDC7GSK3BMAPK9PRKD2CHEK1

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 442/4885MAPK9 192/4885

“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.