SCHEMBL4525520

SCHEMBL4525520

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(Cc3ccc(F)cc3Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
MAOB P27338 1/20 0.35
P2RX7 Q99572 1/20 0.34
MIF P14174 1/20 0.34
MAPK14 Q16539 3/20 0.34
GSR P00390 1/20 0.34
TDP2 O95551 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DGKA P23743 1/20 0.34
DGKZ Q13574 1/20 0.34

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
SCHEMBL4519094 0.91 MAPK1 (0.47) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4512027 0.91 MAPK14 (0.39) JAK2JAK1TYK2JAK3MIF
SCHEMBL4521884 0.89 MAPK1 (0.45) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4528678 0.87 JAK2 (0.37) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL4525470 0.86 MAPK1 (0.44) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4521143 0.86 MAPK1 (0.44) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4510103 0.85 KMT2A (0.44) MAPK1NPSR1ALDH1A1HTTMAPK14
SCHEMBL4511396 0.85 MAPK1 (0.43) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4506461 0.84 MAPK14 (0.44) MAPK1NPSR1ALDH1A1LMNAHPGD
SCHEMBL4520031 0.84 JAK2 (0.36) JAK2JAK1TYK2JAK3MIF

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 MAPK1 1197/4885NPSR1 102/4885ALDH1A1 897/4885

“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.