SCHEMBL4524524

SCHEMBL4524524

CCn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(CCCC(F)(F)F)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
GABRA2 P47869 5/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL4529217 0.92 TP53 (0.36) CDK1CCNB1CCNE1CDK2CTSS
SCHEMBL4515640 0.91 GRM1 (0.36) CDK1CCNB1CCNE1CDK2CTSS
SCHEMBL4522615 0.89 HKDC1 (0.41) CDK1CCNB1CCNE1CDK2CTSS
SCHEMBL4520786 0.88 CNR1 (0.39) CDK1CCNB1CCNE1CDK2ESR1
SCHEMBL4506382 0.85 CNR1 (0.39) CDK1CCNB1CCNE1CDK2ESR1
SCHEMBL4522206 0.82 SMN1; SMN2 (0.43) CDK1CCNB1CCNE1CDK2ESR1
SCHEMBL4524975 0.81 HIF1A (0.42) ESR1ESR2LMNAMAPK1PDE4A
SCHEMBL4512837 0.80 CNR1 (0.46) LMNAMAPK1
SCHEMBL4523527 0.79 CNR1 (0.40) LMNA
SCHEMBL4515222 0.77 HKDC1 (0.41) ESR1ESR2LMNAMAPK1PDE4A

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 CDK1 1523/4885CCNB1 3401/4885CCNE1 3496/4885

“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.