SCHEMBL3594846

SCHEMBL3594846

CN1CCN(c2ccc(-c3cnn4c(N)c(-c5ccc(O)cc5)c(CBr)nc34)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.66
HCK P08631 11/20 0.66
KDR P35968 10/20 0.66
SRC P12931 10/20 0.66
FYN P06241 2/20 0.51
ABL1 P00519 1/20 0.46
RET P07949 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
TEK Q02763 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
BLM P54132 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
Bromide SCHEMBL3595648 0.99 LCK (0.64) LCKHCKKDRSRCFYN
SCHEMBL3589235 0.90 LCK (0.64) LCKHCKKDRSRCFYN
SCHEMBL3587748 0.88 LCK (0.62) LCKHCKKDRSRCFYN
SCHEMBL3589781 0.83 LCK (0.57) LCKHCKKDRSRCFYN
SCHEMBL4171013 0.79 LCK (1.00) LCKHCKKDRSRCFYN
SCHEMBL3593875 0.78 KMT2A (0.61) LCKHCKKDRSRCABL1
SCHEMBL3587624 0.77 LCK (0.51) LCKHCKKDRSRCABL1
Hydrochloric Acid SCHEMBL3585873 0.77 KMT2A (0.60) LCKHCKKDRSRCABL1
SCHEMBL4184434 0.77 NPC1 (0.72) LCKHCKKDRSRCABL1
SCHEMBL4178000 0.76 MEN1 (0.75) LCKHCKKDRSRCABL1

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 5 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
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN LCK 1/4885HCK 42/4885KDR 1630/4885

“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.