SCHEMBL3595368

SCHEMBL3595368

Nc1[nH]ncc1-c1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TMEM97 Q5BJF2 6/20 0.46
SIGMAR1 Q99720 6/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL3582453 0.89 TMEM97 (0.46) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL894510 0.80 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL3934434 0.79 MEN1 (0.59) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL9727540 0.78 NPSR1 (0.68) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL6132364 0.77 GAA (0.69) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL27755151 0.77 LMNA (0.43) SIGMAR1HTR1AHTR2BLMNAADRB1
SCHEMBL975238 0.75 NPSR1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL19950156 0.75 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL12814257 0.75 MEN1 (0.60) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL19211095 0.74 MEN1 (0.56) MEN1KMT2ANPSR1TMEM97SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1321/4885NPSR1 3994/4885

“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.