SCHEMBL3587624

SCHEMBL3587624

COCc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.51
KDR P35968 8/20 0.51
HCK P08631 7/20 0.51
SRC P12931 7/20 0.51
ALK Q9UM73 2/20 0.46
MAP4K1 Q92918 1/20 0.46
RET P07949 3/20 0.43
KIF5B P33176 2/20 0.43
ETV6 P41212 2/20 0.43
CCDC6 Q16204 2/20 0.43
ABL1 P00519 2/20 0.43
KIT P10721 2/20 0.43
PDGFRA P16234 2/20 0.43
TEK Q02763 1/20 0.43
NPM1 P06748 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
PDGFRB P09619 1/20 0.43
FGR P09769 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL3589235 0.87 LCK (0.64) LCKKDRHCKSRCALK
SCHEMBL4177683 0.85 LCK (0.70) LCKKDRHCKSRCALK
SCHEMBL3584686 0.79 LCK (0.60) LCKKDRHCKSRCMAP4K1
SCHEMBL4178665 0.78 LCK (0.71) LCKKDRHCKSRCRET
SCHEMBL4175200 0.78 LCK (0.74) LCKKDRHCKSRCNPC1
SCHEMBL4184434 0.77 NPC1 (0.72) LCKKDRHCKSRCALK
SCHEMBL4182019 0.77 LCK (0.56) LCKKDRHCKSRCALK
SCHEMBL3594846 0.77 LCK (0.66) LCKKDRHCKSRCRET
SCHEMBL4170462 0.77 LCK (0.65) LCKKDRHCKSRCRET
Bromide SCHEMBL3595648 0.76 LCK (0.64) LCKKDRHCKSRCRET

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 6 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
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 1/4885KDR 1630/4885HCK 42/4885

“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.