SCHEMBL3584089

SCHEMBL3584089

Cc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
LCK P06239 9/20 0.52
HCK P08631 8/20 0.52
SRC P12931 7/20 0.52
KDR P35968 7/20 0.52
SIRT6 Q8N6T7 1/20 0.51
BLM P54132 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
ABL1 P00519 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 SCHEMBL4306627 0.99 MEN1 (0.53) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3594060 0.90 LCK (0.63) MEN1KMT2ANPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL3588688 0.89 LCK (0.62) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3593875 0.87 KMT2A (0.61) MEN1KMT2ANPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL3585873 0.86 KMT2A (0.60) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4184434 0.86 NPC1 (0.72) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4178000 0.85 MEN1 (0.75) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3599410 0.84 LCK (0.72) LCKHCKSRCKDRSIRT6
SCHEMBL4182112 0.79 LCK (0.56) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL3594503 0.79 LCK (0.61) LCKHCKSRCKDRSIRT6

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 MEN1 4411/4885KMT2A 1321/4885NPC1 3655/4885

“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.