SCHEMBL643457

SCHEMBL643457

N#Cc1ccc(-c2nccc(NO)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.61
CLK4 Q9HAZ1 9/20 0.44
CYP1A2 P05177 7/20 0.44
CYP3A4 P08684 7/20 0.44
CYP2C19 P33261 6/20 0.44
CYP2D6 P10635 5/20 0.44
LMNA P02545 4/20 0.44
ABCB1 P08183 5/20 0.43
ABCC1 P33527 2/20 0.42
DYRK1A Q13627 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL8886940 0.78 ABCG2 (0.53) ABCG2ALDH1A1MEN1KMT2A
SCHEMBL2864184 0.75 CYP2C19 (0.56) ABCG2CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL8365595 0.75 ABCG2 (0.50) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL30298952 0.74 ABCG2 (0.47) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL16930781 0.73 ABCG2 (0.56) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL1741768 0.73 CLK4 (0.62) ABCG2CLK4ABCB1TSHRMMP3
SCHEMBL8842521 0.72 ABCG2 (0.62) ABCG2CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL29961369 0.72 SCN9A (0.47) ABCG2CYP1A2CYP2C19CYP2C9
SCHEMBL2479265 0.70 MMP3 (0.52) ABCG2ABCB1ABCC1ALDH1A1TSHR
SCHEMBL10608725 0.68 ABCG2 (0.44) ABCG2CLK4CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133038-B HIV inhibiting 2-(4-cyanophenyl)-6-hydroxylaminopyrimidines TIBOTEC PHARM LTD 2012-06-27 CN disclosed
CN-101133038-B HIV inhibiting 2-(4-cyanophenyl)-6-hydroxylaminopyrimidines TIBOTEC PHARM LTD 2012-06-27 CN disclosed
US-8119801-B2 HIV inhibiting 2-(4-cyanophenyl)-6-hydroxylaminopyrimidines TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-02-21 US disclosed
US-8119801-B2 HIV inhibiting 2-(4-cyanophenyl)-6-hydroxylaminopyrimidines TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-02-21 US disclosed
WO-2011135578-A1 COMPOSITION COMPRISING CHITIN AND TINOSPORIN FOR USE IN THE TREATMENT OF VIRAL DISEASES BALAR CHETAN (IN) 2011-11-03 WO disclosed
EP-1858861-B1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES TIBOTEC PHARM LTD (IE) 2010-07-07 EP disclosed
US-20100121060-A1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES JANSSEN SCIENCES IRELAND UC (IE) 2010-05-13 US disclosed
US-20080214588-A1 Hiv Inhibiting 2-(4-Cyanophenyl)-6-Hydroxylaminopyrimidines TIBOTEC BVBA (BE) 2008-09-04 US disclosed
US-20080214588-A1 Hiv Inhibiting 2-(4-Cyanophenyl)-6-Hydroxylaminopyrimidines TIBOTEC BVBA (BE) 2008-09-04 US disclosed
CN-101133038-A HIV inhibiting 2-(4-cyanophenyl)-6-hydroxylaminopyrimidines TIBOTEC PHARM LTD (IE) 2008-02-27 CN disclosed
EP-1858861-A1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-11-28 EP disclosed
EP-1858861-A1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-11-28 EP disclosed
WO-2006094930-A1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-09-14 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 (2 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-20080214588-A1 Hiv Inhibiting 2-(4-Cyanophenyl)-6-Hydroxylaminopyrimidines RTF2, MCM6, SAMHD1 ABCG2 529/4885CLK4 756/4885CYP1A2 802/4885
US-20100121060-A1 HIV INHIBITING 2-(4-CYANOPHENYL)-6-HYDROXYLAMINOPYRIMIDINES RTF2, MCM6, CDK6 ABCG2 730/4885CLK4 834/4885CYP1A2 1003/4885

“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.