SCHEMBL3573374

SCHEMBL3573374

O=CCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
MAPT P10636 4/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX12 P18054 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL14829257 0.87 MAPT (0.53) MAPTPOLBALDH1A1KMT2ALMNA
SCHEMBL7075509 0.86 CYP2C19 (0.48) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL27953665 0.84 SLC2A1 (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C
Formamide SCHEMBL28331724 0.78 ADRA2A (0.43) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL5380629 0.78 CYP1A2 (0.47) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL15986775 0.78 MAPT (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL3096453 0.78 MAPT (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL29394347 0.78 MAPT (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL4873349 0.78 MAPT (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL14399403 0.78 MAPT (0.45) SLC2A1MAPTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
EP-2109605-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2009-10-21 EP disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 SLC2A1 396/4885MAPT 3974/4885ADRA2A 821/4885

“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.