SCHEMBL4520072

SCHEMBL4520072

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cc(F)cc(F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CASP4 P49662 1/20 0.37
MMP14 P50281 1/20 0.37
CTSC P53634 1/20 0.37
BACE1 P56817 1/20 0.37
ADAM17 P78536 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
KLK4 Q9Y5K2 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 2/20 0.36
ALDH1A2 O94788 1/20 0.36

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
SCHEMBL4520799 0.93 CTSV (0.39) MAT2ACTSVCTSLCTSBCTSH
SCHEMBL4521275 0.91 ALDH1A3 (0.44) MAT2AYTHDC1HPGDCNR1ALDH1A2
SCHEMBL4525433 0.91 POLB (0.37) MAT2AYTHDC1GAAPKMHPGD
SCHEMBL4524676 0.91 GAA (0.43) MAT2AGAAPKMHPGDCNR1
SCHEMBL4530785 0.89 MAT2A (0.38) MAT2ACTSVCTSLCTSBCTSH
SCHEMBL4509737 0.89 CNR1 (0.38) MAT2AYTHDC1GAAPKMHPGD
SCHEMBL4521209 0.88 ALDH1A3 (0.39) MAT2AYTHDC1GAAPKMHPGD
SCHEMBL4520999 0.86 NPC1 (0.44) YTHDC1GAACNR1RXFP1BRD4
SCHEMBL4522510 0.86 GSR (0.40) MAT2AYTHDC1GAAPKMHPGD
SCHEMBL4526092 0.86 YTHDC1 (0.45) YTHDC1HPGDCNR1TSHRHTT

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 MAT2A 3846/4885CTSV 3256/4885CTSL 4456/4885

“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.