SCHEMBL275522

SCHEMBL275522

COc1nc(Cl)c(OC)c(N2CCC(c3ccc4cccnc4n3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CHRM4 P08173 2/20 0.33
SLC9A1 P19634 1/20 0.33
MALT1 Q9UDY8 4/20 0.33
SMO Q99835 1/20 0.33
GRM2 Q14416 1/20 0.33
OGA O60502 1/20 0.32
KIT P10721 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL276092 0.91 GLP1R (0.38) GLP1RPDE10ACHRM4SLC9A1MALT1
SCHEMBL276023 0.90 PDE10A (0.37) GLP1RPDE10ACHRM4MALT1SMO
SCHEMBL21713065 0.78 SMO (0.40) GLP1RPDE10ASLC9A1MALT1SMO
SCHEMBL275614 0.76 CNR2 (0.38) GLP1RPDE10ASMO
SCHEMBL275533 0.76 PDE10A (0.54) PDE10ASMO
SCHEMBL2373792 0.74 NPC1 (0.42) PDE10AOGAALDH1A1MAPT
SCHEMBL16334101 0.71 ALDH1A1 (0.46) PDE10AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2377390 0.68 GPR119 (0.53) PDE10AMAPT
SCHEMBL21832083 0.66 KDM4E (0.47) PDE10ASMOALDH1A1
SCHEMBL274998 0.65 SLC6A2 (0.41) ALDH1A1

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 GLP1R 87/4885PDE10A 1311/4885CHRM4 202/4885
US-20110039867-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONIST OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 GLP1R 1022/4885PDE10A 2683/4885CHRM4 196/4885
US-20120115883-A1 PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR P2RY1, P2RY2, P2RX5 GLP1R 1102/4885PDE10A 2681/4885CHRM4 203/4885
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 GLP1R 166/4885PDE10A 1523/4885CHRM4 467/4885

“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.