SCHEMBL3037557

SCHEMBL3037557

CCS(=O)(=O)c1cccc(-c2cc3nc(C)cn3c(Nc3cc(C)[nH]n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
AURKB Q96GD4 7/20 0.36
IGF1R P08069 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ITK Q08881 1/20 0.34
AURKA O14965 5/20 0.34
BRD4 O60885 1/20 0.34
SRC P12931 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
TNNI3K Q59H18 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13221379 0.93 MAP3K5 (0.35) GSK3AGSK3BAURKBCYP1A2CYP3A4
SCHEMBL13221315 0.92 GSK3A (0.41) GSK3AGSK3BAURKBIGF1RITK
SCHEMBL13221375 0.91 GSK3A (0.38) GSK3AGSK3BAURKBIGF1RCYP1A2
SCHEMBL13221357 0.90 BRD4 (0.39) GSK3AGSK3BAURKBIGF1RKDM4E
SCHEMBL3043113 0.90 GSK3A (0.36) GSK3AGSK3BAURKBIGF1RKDM4E
SCHEMBL13221378 0.89 GSK3A (0.37) GSK3AGSK3BAURKBIGF1RCYP1A2
SCHEMBL3027935 0.89 GSK3A (0.37) GSK3AGSK3BAURKBIGF1RCYP1A2
SCHEMBL13221323 0.89 KDM4E (0.40) GSK3AGSK3BAURKBIGF1RKDM4E
SCHEMBL13221361 0.88 IGF1R (0.40) IGF1R
SCHEMBL3041442 0.86 MAP4K2 (0.42) GSK3AGSK3BAURKBCYP1A2CYP3A4

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 14 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
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO 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 GSK3A 217/4885GSK3B 200/4885AURKB 122/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GSK3A 217/4885GSK3B 200/4885AURKB 122/4885

“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.