Sugi Predict

Sugi Predict / Compounds / SCHEMBL328079

SCHEMBL328079

SCHEMBL328079

CCc1c(NC[C@H](NC(=O)Nc2cccc(F)c2)C(=O)OC(C)(C)C)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 15/20 0.43
▸ ITGB3 P05106 10/20 0.43
▸ ITGB6 P18564 7/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ ITGB8 P26012 1/20 0.43
▸ RPS6KB1 P23443 2/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KDR P35968 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 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
SCHEMBL328084 0.93 ITGAV (0.43) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL328007 0.92 ITGAV (0.48) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL8269812 0.90 ITGAV (0.45) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL328069 0.90 ITGAV (0.45) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL274618 0.89 ITGB3 (0.42) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL327999 0.86 ITGAV (0.45) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL328155 0.86 ITGAV (0.46) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL5585125 0.86 ITGAV (0.48) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL5584240 0.86 ITGAV (0.47) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL5584351 0.85 ITGAV (0.47) ITGAVITGB3ITGB6ITGB1ITGA5

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

“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.