SCHEMBL3528073

SCHEMBL3528073

CC(C)(C)c1ccc(C(=O)Nc2ncc3c(n2)CCN(S(=O)(=O)C2=COC=C(C4=CC=CCC4)O2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
MAPT P10636 2/20 0.33
JAK2 O60674 6/20 0.32
SRC P12931 6/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 3/20 0.32
BTK Q06187 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
JAK1 P23458 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL3528675 0.75 MAPT (0.47) PDGFRBKDRMAPTKDM4EHTT
SCHEMBL3531720 0.75 PDGFRB (0.46) PDGFRBKDRMAPTJAK2SRC
SCHEMBL3528069 0.73 PKM (0.46) PDGFRBKDRMAPTKDM4EHTT
SCHEMBL3533203 0.67 MAPT (0.49) PDGFRBKDRMAPTJAK2SRC
SCHEMBL3528339 0.67 KMT2A (0.52) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3527921 0.66 MAPT (0.48) PDGFRBKDRMAPTJAK2KDM4E
SCHEMBL3527715 0.66 PDGFRB (0.47) PDGFRBKDRMAPTJAK2SRC
SCHEMBL3528137 0.66 MAPT (0.49) PDGFRBKDRMAPTJAK2SRC
SCHEMBL3533376 0.66 KMT2A (0.51) PDGFRBKDRMAPTKDM4EMEN1
SCHEMBL3531407 0.66 KDM4E (0.48) MAPTJAK2SRCKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 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 (2 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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 PDGFRB 999/4885KDR 2716/4885MAPT 1817/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD PDGFRB 670/4885KDR 2855/4885MAPT 1702/4885

“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.