SCHEMBL3583934

SCHEMBL3583934

CC(=O)C(C#N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
CES1 P23141 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4397138 0.85 TDP1 (0.47) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL6806749 0.83 TSHR (0.49) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL20746256 0.83 SLC6A3 (0.47) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL6244627 0.83 NPC1 (0.44) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL2815023 0.80 MAPT (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL2761873 0.79 ALDH1A1 (0.46) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL15887351 0.79 KMT2A (0.56) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL10477894 0.79 MEN1 (0.46) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL3889135 0.77 MAPT (0.57) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL8684068 0.77 ALDH1A1 (0.46) MAPTMEN1KMT2ANPC1ALDH1A1

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 7 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
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN 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 MAPT 2260/4885MEN1 4411/4885KMT2A 1321/4885

“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.