SCHEMBL5429558

SCHEMBL5429558

CC(C)n1c(-c2ccc(Cl)cc2)nc2c(=O)[nH]cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM5B Q9UGL1 2/20 0.39
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.38
ADORA2B P29275 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PGR P06401 1/20 0.36
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
CDC7 O00311 1/20 0.35
DYRK3 O43781 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL5429656 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1PARP1ADORA2B
SCHEMBL5428700 0.80 ADORA2A (0.45) MEN1KMT2AALDH1A1ADORA2BCA12
SCHEMBL5438910 0.78 NPC1 (0.52) MEN1KMT2AALDH1A1ADORA2BCA9
SCHEMBL5438382 0.76 ALDH1A1 (0.39) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL5432006 0.73 POLB (0.39) KMT2AALDH1A1CA12CA1CA2
SCHEMBL22434786 0.68 DHFR (0.61) DHFRNPC1RAB9A
SCHEMBL15731247 0.67 ALDH1A1 (0.45) ALDH1A1PARP1
SCHEMBL15724379 0.65 ALDH1A1 (0.41) KDM5BALDH1A1PARP1CA12CA1
SCHEMBL5434848 0.65 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ADORA2BNPC1
SCHEMBL1905197 0.65 PI4KA (0.58) KMT2ADHFRALDH1A1NPC1RAB9A

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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 MEN1 4674/4885KMT2A 4422/4885KDM5B 4732/4885

“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.