SCHEMBL3044203

SCHEMBL3044203

Cc1cn2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc(NC(=O)C(=O)Nc4nccs4)cc3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 15/20 0.43
CCNE2 O96020 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
AURKB Q96GD4 4/20 0.42
SRC P12931 4/20 0.42
GSK3B P49841 1/20 0.42
AURKA O14965 3/20 0.36
ABL1 P00519 2/20 0.34
YES1 P07947 2/20 0.34
HCK P08631 2/20 0.34
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
STK25 O00506 1/20 0.34
RIOK3 O14730 1/20 0.34
CHEK1 O14757 1/20 0.34
GAK O14976 1/20 0.34
MUSK O15146 1/20 0.34
EPHB6 O15197 1/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL3038656 0.83 AURKB (0.42) IGF1RCCNE1CDK2AURKBSRC
SCHEMBL3040342 0.81 CCNE1 (0.43) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL3044950 0.81 AURKB (0.42) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL3027778 0.80 AURKB (0.42) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL3035031 0.78 SRC (0.51) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL13221256 0.76 AURKB (0.53) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL3042680 0.76 AURKB (0.55) IGF1RAURKBSRCGSK3BAURKA
SCHEMBL13221255 0.76 AURKB (0.52) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL13220983 0.76 AURKB (0.46) IGF1RCCNE2CCNE1CDK2AURKB
SCHEMBL3037063 0.75 AURKB (0.51) IGF1RAURKBSRCGSK3BAURKA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 IGF1R 787/4885CCNE2 1107/4885CCNE1 639/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 IGF1R 787/4885CCNE2 1107/4885CCNE1 639/4885

“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.