SCHEMBL17464332

SCHEMBL17464332

CC(C)CNc1ccn2ncc(Br)c2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.39
RET P07949 3/20 0.38
ESR1 P03372 2/20 0.38
PIM2 Q9P1W9 4/20 0.38
AXL P30530 1/20 0.37
GSK3B P49841 1/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL16083391 0.89 PIM1 (0.40) PIM1RETPIM2AXL
SCHEMBL15261465 0.80 PIM1 (0.44) PIM1RETPIM2
SCHEMBL860204 0.80 PIM1 (0.37) PIM1RETESR1PIM2
SCHEMBL15261632 0.79 PIM1 (0.45) PIM1RETPIM2
SCHEMBL20967402 0.79 TGFBR2 (0.49) PIM1RETPIM2AXLGSK3B
SCHEMBL15891411 0.78 RET (0.53) PIM1RETPIM2
SCHEMBL15891337 0.78 PIM1 (0.61) PIM1RETPIM2
SCHEMBL16083665 0.78 PCSK9 (0.49) RET
SCHEMBL15261764 0.78 PIM1 (0.44) PIM1RETPIM2FYN
SCHEMBL31462309 0.76 RET (0.60) PIM1RETPIM2GSK3BFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024114-A1 MACROCYCLIC RIP2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2016-01-28 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 (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-20160024114-A1 MACROCYCLIC RIP2 KINASE INHIBITORS RIPK2, RIPK1, RIPK3 PIM1 329/4885RET 280/4885ESR1 3618/4885

“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.