SCHEMBL3589781

SCHEMBL3589781

CN(C)CCNCc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.57
HCK P08631 14/20 0.57
SRC P12931 13/20 0.57
KDR P35968 12/20 0.57
RET P07949 2/20 0.42
ABL1 P00519 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
TEK Q02763 1/20 0.42
FYN P06241 1/20 0.42
KIF5B P33176 1/20 0.39
TLR9 Q9NR96 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3594846 0.83 LCK (0.66) LCKHCKSRCKDRRET
Bromide SCHEMBL3595648 0.83 LCK (0.64) LCKHCKSRCKDRRET
SCHEMBL3589235 0.83 LCK (0.64) LCKHCKSRCKDRRET
SCHEMBL3587748 0.81 LCK (0.62) LCKHCKSRCKDRRET
SCHEMBL4171013 0.73 LCK (1.00) LCKHCKSRCKDRRET
SCHEMBL3593875 0.72 KMT2A (0.61) LCKHCKSRCKDRRET
SCHEMBL3587624 0.71 LCK (0.51) LCKHCKSRCKDRRET
Hydrochloric Acid SCHEMBL3585873 0.71 KMT2A (0.60) LCKHCKSRCKDRRET
SCHEMBL4184434 0.71 NPC1 (0.72) LCKHCKSRCKDRRET
SCHEMBL4178000 0.70 MEN1 (0.75) LCKHCKSRCKDRRET

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN LCK 1/4885HCK 42/4885SRC 16/4885

“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.