SCHEMBL276187

SCHEMBL276187

COc1nc(O)c(OC)c(O)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL276103 0.78 TDP1 (0.35) TDP1MAPTCYP3A4POLB
SCHEMBL275575 0.78 CYP3A4 (0.33) TDP1MAPTCYP3A4LMNAMEN1
SCHEMBL6033622 0.76 TDP1 (0.33) TDP1MAPTCYP3A4
SCHEMBL7172814 0.76 NPC1 (0.37) TDP1MAPTCYP3A4LMNAMEN1
SCHEMBL15522420 0.73
SCHEMBL11787851 0.72 ALDH1A1 (0.37) TDP1CYP3A4LMNA
SCHEMBL2829758 0.72 ALDH1A1 (0.37) TDP1LMNAMEN1KMT2AATM
SCHEMBL33145 0.71 ALDH1A1 (0.43) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL192561 0.71 LMNA (0.35) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL329816 0.71 LMNA (0.35) TDP1MAPTLMNAMEN1KMT2A

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
US-8765766-B2 Pyrimidine derivatives which are antagonists of the vitronectin receptor GALAPAGOS NV (BE) 2014-07-01 US disclosed
EP-1747222-B1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR GALAPAGOS NV (BE) 2014-04-16 EP disclosed
EP-2368891-B1 Pyrimidines derivatives as antagonists of the vitronectine receptors GALAPAGOS NV (BE) 2012-09-19 EP disclosed
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2012-05-10 US disclosed
US-8133896-B2 Pyrimidine derivatives which are antagonist of the vitronectin receptor GALAPAGOS NV (BE) 2012-03-13 US disclosed
EP-2368891-A1 Pyrimidines derivatives as antagonists of the vitronectine receptors Galapagos SAS (FR) 2011-09-28 EP disclosed
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR GALAPAGOS SAS 2011-02-17 US disclosed
US-7846932-B2 treatment of retinopathy comprising administering drugs such as tert-butyl 3-[5-ethyl-6-[4-(5,6,7,8-tetrahydro-(1,8)naphthyridin-2-yl)-piperidin-1-yl]-pyrimidin-4-ylamino]-2-(4-methoxy benzoyl)-propionate GALAPAGOS SAS (FR) 2010-12-07 US disclosed
US-7825119-B2 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate GALAPAGOS SAS (FR) 2010-11-02 US disclosed
US-20100041675-A1 treatment of retinopathy comprising administering drugs such as tert-butyl 3-[5-ethyl-6-[4-(5,6,7,8-tetrahydro-(1,8)naphthyridin-2-yl)-piperidin-1-yl]-pyrimidin-4-ylamino]-2-(4-methoxy benzoyl)-propionate GALAPAGOS SAS 2010-02-18 US disclosed
US-20080058348-A1 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate PROSKELIA SAS 2008-03-06 US disclosed
EP-1747222-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR Proskelia SAS (FR) 2007-01-31 EP disclosed
WO-2005123734-A1 PYRIMIDINE DERIVATIVES ANTAGONISTS OF VITRONECTIN RECEPTOR PROSKELIA SAS (FR) 2005-12-29 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 (4 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-20100041675-A1 treatment of retinopathy comprising administering drugs such as tert-butyl 3-[5-ethyl-6-[4-(5,6,7,8-tetrahydro-(1,8)naphthyridin-2-yl)-piperidin-1-yl]-pyrimidin-4-ylamino]-2-(4-methoxy benzoyl)-propionate TBXA2R, GPR55, ADGRE5 TDP1 3112/4885MAPT 1779/4885CYP3A4 972/4885
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 TDP1 2797/4885MAPT 3697/4885CYP3A4 2682/4885
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 TDP1 2781/4885MAPT 3735/4885CYP3A4 2685/4885
US-20080058348-A1 Bone disorders such as osteoporosis, tumors and cardiovascular disorders; 4-(2-carboxy-2-Boc-aminoethylamino)-6-piperidinopyrimidines such as tert-butyl 2-benzyloxycarbonylamino-3-[2,5-dimethoxy-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)pyrimidin-4-ylamino]-propionate CALCR, PTH1R, CALCRL TDP1 3403/4885MAPT 3848/4885CYP3A4 2486/4885

“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.