SCHEMBL20967402

SCHEMBL20967402

CNc1ccn2ncc(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 2/20 0.49
ACVR2A P27037 1/20 0.48
TGFBR1 P36897 1/20 0.48
AXL P30530 1/20 0.43
GSK3B P49841 3/20 0.42
JAK2 O60674 1/20 0.38
PIM1 P11309 6/20 0.36
SMPD3 Q9NY59 2/20 0.36
RET P07949 1/20 0.35
PIM2 Q9P1W9 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 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
SCHEMBL13990583 0.81 TGFBR2 (0.50) TGFBR2ACVR2ATGFBR1JAK2PIM1
SCHEMBL4332309 0.78 PIM1 (0.47) AXLGSK3BPIM1RETPIM2
SCHEMBL15891411 0.76 RET (0.53) PIM1RETPIM2
SCHEMBL15891337 0.76 PIM1 (0.61) PIM1RETPIM2IRAK4CDK2
SCHEMBL18208666 0.76 JAK2 (0.50) TGFBR2ACVR2ATGFBR1JAK2RET
SCHEMBL23148335 0.75 NTRK1 (0.43) AXLJAK2MAP4K4NTRK1NTRK2
SCHEMBL23148336 0.75 NTRK1 (0.43) AXLJAK2MAP4K4NTRK1NTRK2
SCHEMBL1440944 0.74 CDK2 (0.39) AXLPIM1DYRK3NTRK1CDK1
SCHEMBL1441016 0.74 NTRK1 (0.35) AXLNTRK1NTRK2FYN
SCHEMBL1442100 0.74 PIM1 (0.36) AXLPIM1PIM2NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676486-B2 Macrocyclic RIP2 kinase inhibitors ONCODESIGN S.A. (FR) 2020-06-09 US disclosed
US-20190127390-A1 MACROCYCLIC RIP2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2019-05-02 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-20190127390-A1 MACROCYCLIC RIP2 KINASE INHIBITORS RIPK2, RIPK1, RIPK3 TGFBR2 2295/4885ACVR2A 764/4885TGFBR1 3711/4885
US-10676486-B2 Macrocyclic RIP2 kinase inhibitors RIPK2, RIPK1, RIPK3 TGFBR2 2295/4885ACVR2A 764/4885TGFBR1 3711/4885

“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.