SCHEMBL3530251

SCHEMBL3530251

CCc1ccc(C(=O)Nc2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
PDGFRB P09619 6/20 0.48
KDR P35968 5/20 0.48
GRAMD1A Q96CP6 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ENPP2 Q13822 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
TP53 P04637 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
NR1H2 P55055 1/20 0.42
FYN P06241 1/20 0.41
MAP3K5 Q99683 2/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL15643253 0.85 PDGFRB (0.45) MAPTPDGFRBKDRGRAMD1AENPP2
SCHEMBL3527554 0.84 PDGFRB (0.49) MAPTPDGFRBKDRENPP2TP53
SCHEMBL3535121 0.83 PDGFRB (0.49) MAPTPDGFRBKDRENPP2TP53
SCHEMBL3533394 0.83 MAPT (0.58) MAPTPDGFRBKDRGRAMD1ADDB1
SCHEMBL3530807 0.83 MAPT (0.58) MAPTPDGFRBKDRDDB1CRBN
SCHEMBL20764976 0.82 MAPT (0.67) MAPTPDGFRBKDRGRAMD1ADDB1
SCHEMBL3533852 0.81 MAPT (0.56) MAPTPDGFRBKDRDDB1CRBN
SCHEMBL3530719 0.80 PDGFRB (0.49) MAPTPDGFRBKDRTP53
SCHEMBL17635118 0.80 MAPT (0.69) MAPTPDGFRBKDRDDB1CRBN
SCHEMBL30637861 0.80 MAPT (0.69) MAPTPDGFRBKDRDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1817/4885PDGFRB 999/4885KDR 2716/4885
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 MAPT 1702/4885PDGFRB 670/4885KDR 2855/4885

“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.