Sugi Predict

Sugi Predict / Compounds / SCHEMBL328202

SCHEMBL328202

SCHEMBL328202

CCc1c(NC[C@H](NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 13/20 0.51
▸ ITGB6 P18564 10/20 0.51
▸ ITGB3 P05106 5/20 0.51
▸ ITGB5 P18084 2/20 0.51
▸ ITGB8 P26012 2/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ CXCR4 P61073 1/20 0.45
▸ FPR2 P25090 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MALT1 Q9UDY8 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
SCHEMBL8269812 0.92 ITGAV (0.45) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL328069 0.92 ITGAV (0.45) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL13077278 0.90 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL10201953 0.89 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL13003788 0.89 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL277171 0.89 ITGB3 (0.47) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL328187 0.88 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL328007 0.88 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL275846 0.86 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGB8
SCHEMBL328082 0.85 ITGAV (0.60) ITGAVITGB6ITGB3ITGB5ITGB8

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 10 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
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
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-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-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-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
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

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 ITGAV 342/4885ITGB6 395/4885ITGB3 282/4885
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 492/4885ITGB6 376/4885ITGB3 273/4885
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 ITGAV 455/4885ITGB6 335/4885ITGB3 248/4885
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 ITGAV 707/4885ITGB6 434/4885ITGB3 356/4885

“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.