SCHEMBL936047

SCHEMBL936047

Clc1cc(I)cc(NC2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CDC7 O00311 2/20 0.49
GSK3B P49841 2/20 0.49
NUDT1 P36639 1/20 0.46
CHEK1 O14757 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
EGFR P00533 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
ROS1 P08922 1/20 0.43
FER P16591 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL935044 0.84 CDC7 (0.46) KMT2AMEN1CDC7GSK3BCHEK1
SCHEMBL6127259 0.84 CDK2 (0.46) KMT2AMEN1CDC7GSK3BNUDT1
SCHEMBL1050888 0.82 PIM1 (0.42) KMT2AMEN1CDC7GSK3BNUDT1
SCHEMBL934369 0.82 CDK2 (0.42) CDC7GSK3BMAPKAPK2BLKIRAK1
SCHEMBL6127027 0.80 CAMK2D (0.41) CDC7GSK3BDAPK3PAK4PRKACA
SCHEMBL935107 0.80 IL1B (0.47)
SCHEMBL6050581 0.79 KMT2A (0.60) KMT2AMEN1CDC7GSK3BNUDT1
SCHEMBL992713 0.79 PRCP (0.38) KMT2AMEN1CDC7GSK3BCHEK1
SCHEMBL992715 0.79 PRCP (0.38) KMT2AMEN1CDC7GSK3BCHEK1
SCHEMBL9084790 0.77 KMT2A (0.57) KMT2AMEN1CDC7GSK3BNUDT1

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 11 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 disclosed
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
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
CN-102471345-A Pyrrolopyrazine inhibitors of kinases ABBOTT LAB 2012-05-23 CN 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
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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 (2 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 KMT2A 1151/4885MEN1 1060/4885CDC7 1/4885
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 KMT2A 1288/4885MEN1 1290/4885CDC7 1/4885

“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.