SCHEMBL3308972

SCHEMBL3308972

COc1nc(O)cc(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL601281 0.82 HSD17B10 (0.54) HRH4HSD17B10LMNAALOX15TP53
SCHEMBL1285445 0.80 LMNA (0.42) CA2CA1HSD17B10LMNAALOX15
SCHEMBL803689 0.78 HRH4 (0.50) HRH4CA2CA1HSD17B10LMNA
SCHEMBL10220211 0.78 HRH4 (0.50) HRH4HSD17B10LMNATP53CYP3A4
SCHEMBL24714028 0.76 HRH4 (0.49) HRH4HSD17B10LMNACYP3A4HPGD
SCHEMBL14701671 0.74 HSD17B10 (0.35) HRH4CA2CA1HSD17B10ALOX15
SCHEMBL27114793 0.73 HRH4 (0.46) HRH4HSD17B10CYP3A4ALDH1A1MAPT
SCHEMBL11788517 0.72 LMNA (0.37) LMNAALOX15TP53CYP3A4HPGD
SCHEMBL3175016 0.72 LMNA (0.55) LMNATP53CYP3A4TDP1ALDH1A1
SCHEMBL2719104 0.72 HSD17B10 (0.34) CA2CA1HSD17B10ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 EP disclosed
EP-2118091-B1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-04-15 EP disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-8937080-B2 Pyrimidine substituted macrocyclic HCV inhibitors MEDIVIR AB (SE) 2015-01-20 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
US-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS, LTD. (IE) 2010-05-06 US disclosed
EP-2118091-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS Tibotec Pharmaceuticals (IE) 2009-11-18 EP disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008095999-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 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 (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-20100113440-A1 PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS NUDT1, PNP, SLC28A1 HRH4 4401/4885CA2 4557/4885CA1 4865/4885

“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.