SCHEMBL4529217

SCHEMBL4529217

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
CDK1 P06493 2/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE4B Q07343 4/20 0.32
PDE4D Q08499 4/20 0.32
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PKM P14618 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
SCHEMBL4524524 0.92 CDK1 (0.34) CDK1CCNB1CCNE1CDK2CTSS
SCHEMBL4515640 0.90 GRM1 (0.36) CDK1CCNB1CCNE1CDK2CTSS
SCHEMBL4522615 0.87 HKDC1 (0.41) MAPTCDK1CCNB1CCNE1CDK2
SCHEMBL4520786 0.84 CNR1 (0.39) CDK1CCNB1CCNE1CDK2ESR1
SCHEMBL4506382 0.81 CNR1 (0.39) CDK1CCNB1CCNE1CDK2ESR1
SCHEMBL4522206 0.80 SMN1; SMN2 (0.43) MAPTCDK1CCNB1CCNE1CDK2
SCHEMBL4524975 0.78 HIF1A (0.42) ESR1ESR2TSHRLMNAMAPK1
SCHEMBL4512837 0.76 CNR1 (0.46) TSHRLMNAMAPK1
SCHEMBL4523527 0.76 CNR1 (0.40) TSHRLMNAPKM
SCHEMBL4515222 0.76 HKDC1 (0.41) MAPTESR1ESR2MEN1TSHR

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 TP53 4385/4885MAPT 3420/4885CDK1 1523/4885

“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.