SCHEMBL3570697

SCHEMBL3570697

Cc1c(CN)ccc([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
KAT2B Q92831 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6205360 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL9719281 0.81 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL30503599 0.81 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL28953856 0.79 TDP1 (0.44) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL29926354 0.77 CYP1A2 (0.57) TDP1TSHRSMN1; SMN2CYP3A4LMNA
SCHEMBL19181026 0.77 CYP1A2 (0.57) TDP1TSHRSMN1; SMN2CYP3A4LMNA
SCHEMBL4729834 0.76 PNMT (0.38) TSHRCYP3A4LOXL2
SCHEMBL671038 0.76 ALDH1A1 (0.48) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL15174224 0.76 TDP1 (0.48) TDP1TSHRSMN1; SMN2CYP3A4HSD17B10
SCHEMBL6907821 0.76 TSHR (0.60) TDP1TSHRCYP3A4HSD17B10ALDH1A1

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 TDP1 1249/4885TSHR 1311/4885SMN1; SMN2 492/4885

“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.