SCHEMBL3046795

SCHEMBL3046795

Cc1cc(Nc2nc(-c3cccc(CNC(=O)C4CNC4)c3)cc3nccn23)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.45
MAP4K2 Q12851 6/20 0.41
SYK P43405 4/20 0.38
MAP4K4 O95819 2/20 0.38
PKN2 Q16513 2/20 0.38
AURKB Q96GD4 2/20 0.38
SLK Q9H2G2 2/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
ROS1 P08922 1/20 0.38
SRC P12931 1/20 0.38
FER P16591 1/20 0.38
KDR P35968 1/20 0.38
BLK P51451 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKCD Q05655 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL3039707 0.94 RET (0.49) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3038973 0.93 RET (0.48) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL13221135 0.93 RET (0.48) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3041188 0.87 RET (0.40) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3045432 0.84 IGF1R (0.43) RETMAP4K2CDK2WDR5
SCHEMBL3028149 0.84 MAP4K2 (0.41) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3031930 0.84 MAP4K4 (0.41) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3047500 0.83 RET (0.49) RETMAP4K2SYKMAP4K4PKN2
SCHEMBL3038521 0.83 WDR5 (0.45) RETMAP4K2CDK2WDR5
SCHEMBL3288291 0.83 MAP4K2 (0.41) RETMAP4K2SYKMAP4K4PKN2

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 17 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
JP-2008516973-A 2008-05-22 JP claimed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP claimed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO 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 RET 335/4885MAP4K2 16/4885SYK 395/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 RET 335/4885MAP4K2 16/4885SYK 395/4885

“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.