SCHEMBL13998639

SCHEMBL13998639

C[C@@H]1Cc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.36
CYP2D6 P10635 3/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL3498480 1.00 DRD3 (0.44) DRD3DRD2BRD4CREBBPNPC1
SCHEMBL13998641 1.00 DRD3 (0.44) DRD3DRD2BRD4CREBBPNPC1
SCHEMBL14490658 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL8259536 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL14490659 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL12891737 0.82 DRD2 (0.44) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL8267166 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL12891728 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL30666578 0.82 DRD2 (0.44) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL12891735 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1

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
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-7465737-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl -6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2008-12-16 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-09-27 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 US disclosed
US-7232827-B2 Heteroaryl substituted 2-pyridinyl and 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-06-19 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 (1 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-20070225300-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES CDK5, CDK5R1, PSEN2 DRD3 1323/4885DRD2 1487/4885BRD4 671/4885

“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.