SCHEMBL969794

SCHEMBL969794

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cnc2[nH]cc(-c3cc(Cl)nc(NC4CCCCC4)c3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
ALK Q9UM73 11/20 0.49
INSR P06213 10/20 0.49
IGF1R P08069 10/20 0.49
TTK P33981 2/20 0.48
PTK2 Q05397 3/20 0.48
LRRK2 Q5S007 2/20 0.45
MAPK7 Q13164 1/20 0.45
EML4 Q9HC35 2/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
NUAK1 O60285 1/20 0.45
JAK2 O60674 1/20 0.45
STK10 O94804 1/20 0.45
PRKD3 O94806 1/20 0.45
SLC34A2 O95436 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
CD74 P04233 1/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL1044690 0.79 EGFR (0.59) EGFRALKINSRIGF1RPTK2
SCHEMBL935724 0.74 CDC7 (0.60) EGFRINSRLRRK2CHEK1CHEK2
SCHEMBL4767413 0.74 TTK (0.66) ALKINSRIGF1RTTKPTK2
SCHEMBL935104 0.72 CDC7 (0.64) EGFRINSRLRRK2CHEK1CHEK2
SCHEMBL10156861 0.71 ALK (0.73) ALKINSRIGF1RTTKPTK2
SCHEMBL18194356 0.71 ALK (0.61) EGFRALKINSRIGF1RTTK
SCHEMBL3131543 0.71 TTK (0.64) ALKINSRIGF1RTTKPTK2
SCHEMBL26087590 0.70 ALK (0.73) EGFRALKINSRIGF1RTTK
SCHEMBL1491729 0.70 ALK (0.77) EGFRALKINSRIGF1RTTK
SCHEMBL4767418 0.70 TTK (0.60) ALKINSRIGF1RTTKPTK2

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 9 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 claimed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP claimed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US claimed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO claimed
EP-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP 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
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 (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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 EGFR 1450/4885ALK 1579/4885INSR 2450/4885

“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.