SCHEMBL3594060

SCHEMBL3594060

Cc1nc2c(-c3cccc(N4CCN(C)CC4)c3)cnn2c(N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.63
KDR P35968 11/20 0.54
HCK P08631 10/20 0.54
SRC P12931 9/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
NPC1 O15118 2/20 0.51
BLM P54132 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
RAB9A P51151 2/20 0.47
MET P08581 1/20 0.44
HRH4 Q9H3N8 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
Hydrochloric Acid SCHEMBL3588688 0.99 LCK (0.62) LCKKDRHCKSRCMEN1
SCHEMBL3584089 0.90 MEN1 (0.53) LCKKDRHCKSRCMEN1
Hydrochloric Acid SCHEMBL4306627 0.89 MEN1 (0.53) LCKKDRHCKSRCMEN1
SCHEMBL3596913 0.88 LCK (0.67) LCKKDRHCKSRCMEN1
Hydrochloric Acid SCHEMBL3599288 0.87 LCK (0.66) LCKKDRHCKSRCMEN1
SCHEMBL4178034 0.87 MEN1 (0.66) LCKKDRHCKSRCMEN1
SCHEMBL4177672 0.83 LCK (0.61) LCKKDRHCKSRCMEN1
SCHEMBL4175416 0.83 LCK (0.60) LCKKDRHCKSRCMEN1
SCHEMBL4174275 0.83 LCK (0.60) LCKKDRHCKSRCMEN1
SCHEMBL4182622 0.81 LCK (0.59) LCKKDRHCKSRCMEN1

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 1/4885KDR 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.