SCHEMBL1442891

SCHEMBL1442891

CN1CCN(C2CC(n3cc(Br)c4c(N)ncnc43)C2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.46
KIF5B P33176 7/20 0.46
KDR P35968 4/20 0.46
ADK P55263 4/20 0.43
ABL1 P00519 2/20 0.42
KCNH2 Q12809 1/20 0.42
CCDC6 Q16204 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
BLK P51451 1/20 0.42
NTRK2 Q16620 1/20 0.42
METTL3 Q86U44 8/20 0.42
EGFR P00533 1/20 0.40
ABL2 P42684 1/20 0.40

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
SCHEMBL1443270 0.87 ADK (0.43) RETKIF5BKDRADKABL1
SCHEMBL16769693 0.80 METTL3 (0.50) RETKIF5BKDRADKABL1
SCHEMBL18925745 0.80 METTL3 (0.50) RETKIF5BKDRADKABL1
SCHEMBL1444002 0.80 RET (0.69) RETKIF5BKDRADKABL1
SCHEMBL1444001 0.80 RET (0.69) RETKIF5BKDRADKABL1
SCHEMBL6108827 0.79 HCK (0.45) RETKDRADKABL1NTRK1
SCHEMBL6108831 0.79 HCK (0.45) RETKDRADKABL1NTRK1
SCHEMBL27880596 0.78 RET (0.44) RETKIF5BKDRADKABL1
SCHEMBL27864236 0.78 RET (0.52) RETKIF5BKDRADKABL1
SCHEMBL16769992 0.76 ABL1 (0.63) KDRADKABL1LCKSRC

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 RET 853/4885KIF5B 2516/4885KDR 921/4885

“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.