SCHEMBL4521476

SCHEMBL4521476

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.39
MAT2A P31153 1/20 0.39
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
TSHR P16473 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HKDC1 Q2TB90 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
CDK1 P06493 3/20 0.34
MAPK14 Q16539 2/20 0.34
LMNA P02545 2/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4507591 0.94 MAT2A (0.43) GSRMAT2ATSHRNPC1HPGD
SCHEMBL4531589 0.94 HKDC1 (0.39) MAT2ABRD4TSHRNPC1HPGD
SCHEMBL4522510 0.93 GSR (0.40) GSRMAT2ABRD9TSHRNPC1
SCHEMBL4523638 0.89 GSR (0.41) GSRMAT2ABRD9HKDC1SMN1; SMN2
SCHEMBL4530159 0.89 MAT2A (0.43) GSRMAT2ATSHRNPC1HPGD
SCHEMBL4521820 0.88 PDE4A (0.40) TSHRNPC1HPGDPKMHKDC1
SCHEMBL4527623 0.88 MAPK1 (0.40) GSRMAT2ATSHRNPC1HPGD
SCHEMBL4530785 0.88 MAT2A (0.38) GSRMAT2ABRD9TSHRNPC1
SCHEMBL4529801 0.88 SMN1; SMN2 (0.39) MAT2ATSHRNPC1HPGDHKDC1
SCHEMBL4524676 0.86 GAA (0.43) MAT2ABRD4TSHRHPGDGAA

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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 (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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 GSR 1941/4885MAT2A 3846/4885BRD4 508/4885

“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.