SCHEMBL3533852

SCHEMBL3533852

CCOc1ccccc1C(=O)Nc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ENPP2 Q13822 1/20 0.46
PDGFRB P09619 5/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
KDR P35968 3/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PTPN11 Q06124 1/20 0.43
FYN P06241 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 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
SCHEMBL5544786 0.86 MAPT (0.42) MAPTENPP2LMNATP53KDM4E
SCHEMBL3530466 0.84 ENPP2 (0.46) MAPTENPP2PDGFRBKDRLMNA
SCHEMBL3530251 0.81 MAPT (0.59) MAPTENPP2PDGFRBKDRDDB1
SCHEMBL3530792 0.80 PDGFRB (0.47) PDGFRBKDRHSP90AA1
SCHEMBL3532057 0.80 LMNA (0.44) MAPTENPP2PDGFRBKDRLMNA
SCHEMBL20764976 0.80 MAPT (0.67) MAPTENPP2PDGFRBKDRDDB1
SCHEMBL31590703 0.79 MAPT (0.63) MAPTENPP2PDGFRBKDRDDB1
SCHEMBL3530807 0.79 MAPT (0.58) MAPTENPP2PDGFRBJAK2KDR
SCHEMBL17620618 0.78 MAPT (0.80) MAPTENPP2PDGFRBKDRTP53
SCHEMBL3529849 0.78 POLB (0.46) MAPTLMNATP53KDM4EPOLB

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 1817/4885ENPP2 1673/4885PDGFRB 999/4885
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 1702/4885ENPP2 1970/4885PDGFRB 670/4885

“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.