SCHEMBL4524609

SCHEMBL4524609

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3c(F)ccc(F)c3Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
GSR P00390 1/20 0.34
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
GRM1 Q13255 2/20 0.33
POLB P06746 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4525878 0.95 SMN1; SMN2 (0.37) DRD1DRD5TSHRLMNANPSR1
SCHEMBL4520401 0.92 BRD9 (0.35) DRD1DRD5YTHDC1GRM1POLB
SCHEMBL4513062 0.92 DRD1 (0.36) DRD1DRD5TSHRHTTLMNA
SCHEMBL4515658 0.92 MAPT (0.39) DRD1DRD5TSHRHTTLMNA
SCHEMBL4524591 0.90 POLB (0.36) DRD1DRD5TSHRHTTLMNA
SCHEMBL4505875 0.89 TSHR (0.40) DRD1DRD5TSHRHTTLMNA
SCHEMBL4526123 0.89 TSHR (0.35) DRD1DRD5TSHRHTTLMNA
SCHEMBL4520372 0.88 GSR (0.37) DRD1DRD5TSHRHTTLMNA
SCHEMBL4529233 0.85 DRD1 (0.40) DRD1DRD5TSHRLMNATP53
SCHEMBL4525529 0.85 DRD1 (0.36) DRD1DRD5TSHRHTTLMNA

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 DRD1 333/4885DRD5 695/4885TSHR 915/4885

“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.