SCHEMBL1442499

SCHEMBL1442499

Nc1ncnc2c1c(I)cn2C1CCC(CO)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.53
▸ MTOR P42345 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ADK P55263 9/20 0.53
▸ RIPK2 O43353 3/20 0.50
▸ ABL1 P00519 5/20 0.49
▸ EGFR P00533 4/20 0.49
▸ ABL2 P42684 4/20 0.49
▸ RET P07949 2/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ NPM1 P06748 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47

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
SCHEMBL9951321 1.00 SRC (0.53) SRCMTORRAB9AADKRIPK2
SCHEMBL16237288 0.89 SRC (0.59) SRCMTORRAB9AADKRIPK2
SCHEMBL400703 0.88 SRC (0.59) SRCMTORRAB9AADKABL1
SCHEMBL397335 0.88 SRC (0.59) SRCMTORRAB9AADKABL1
SCHEMBL397336 0.88 SRC (0.59) SRCMTORRAB9AADKABL1
SCHEMBL9950846 0.85 ADK (0.62) SRCMTORRAB9AADKRIPK2
SCHEMBL9950847 0.85 ADK (0.62) SRCMTORRAB9AADKRIPK2
SCHEMBL9951080 0.85 ADK (0.56) SRCMTORRAB9AADKRIPK2
SCHEMBL1442815 0.85 ADK (0.56) SRCMTORRAB9AADKRIPK2
SCHEMBL1933267 0.84 RIPK2 (0.63) SRCMTORRAB9AADKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 — — EP disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 — — US disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 — — WO 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 SRC 292/4885MTOR 1267/4885RAB9A 2387/4885

“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.

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