SCHEMBL4528337

SCHEMBL4528337

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(C3Cc4ccc(C(F)(F)F)cc4C3)nc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 11/20 0.34
DDR1 Q08345 3/20 0.34
PRKCA P17252 2/20 0.33
TRPV4 Q9HBA0 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CRHR1 P34998 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
SCHEMBL4510801 0.92 DDR1 (0.35) CDK1DDR1PRKCA
SCHEMBL4791118 0.89 TRPV4 (0.35) TRPV4CTSS
SCHEMBL4791071 0.81 DRD1 (0.37) TRPV4
SCHEMBL4520932 0.80 TRPV4 (0.34) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL3177139 0.79 CDK1 (0.38) CDK1NPC1LMNAHPGDTSHR
SCHEMBL3177134 0.79 CDK1 (0.38) CDK1NPC1LMNAHPGDTSHR
SCHEMBL4513362 0.78 CNR1 (0.42) NPC1LMNAHPGDTSHR
SCHEMBL4506393 0.75 PIK3CD (0.38) TRPV4TSHRSMN1; SMN2
SCHEMBL4517305 0.73 MAOB (0.41) CDK1PRKCASMN1; SMN2
SCHEMBL4530720 0.73 DRD1 (0.41) CDK1PRKCANPC1HPGDRAB9A

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 CDK1 1523/4885DDR1 760/4885PRKCA 3351/4885

“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.