SCHEMBL4519861

SCHEMBL4519861

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccc(F)c(F)c3F)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
HKDC1 Q2TB90 3/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPK14 Q16539 1/20 0.34
TSHR P16473 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAT2A P31153 1/20 0.32

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
SCHEMBL4525529 0.93 DRD1 (0.36) MAOAMAOBMAPK14TSHRLMNA
SCHEMBL4505798 0.90 HKDC1 (0.39) SMN1; SMN2HKDC1MAOAMAOBMAPK14
SCHEMBL4526099 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HKDC1MAOAMAOBMAPK14
SCHEMBL4519384 0.88 HKDC1 (0.39) SMN1; SMN2HKDC1MAOAMAOBMAPK14
SCHEMBL4517370 0.88 GRM1 (0.37) MAPK14MAPK1NPSR1GRM1
SCHEMBL4521828 0.86 MAT2A (0.40) SMN1; SMN2HKDC1MAOAMAOBMAPK14
SCHEMBL4519245 0.86 TP53 (0.37) MAPK14ALDH1A1LMNAMEN1MAPT
SCHEMBL4522019 0.85 MAPK14 (0.36) SMN1; SMN2HKDC1MAPK14LMNAMAPT
SCHEMBL4525993 0.84 DRD1 (0.37) MAOAMAOBMAPK14TSHRLMNA
SCHEMBL4523638 0.84 GSR (0.41) SMN1; SMN2HKDC1MAPK14KMT2AMAPK1

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 1 patent. 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

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 SMN1; SMN2 3506/4885HKDC1 2603/4885MAOA 2735/4885

“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.