SCHEMBL4528678

SCHEMBL4528678

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(Cc3ccc(Cl)cc3F)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
TDP2 O95551 3/20 0.35
MAT2A P31153 2/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
TRPA1 O75762 1/20 0.35
PDE10A Q9Y233 1/20 0.34
BCAT2 O15382 2/20 0.34
NSD2 O96028 1/20 0.34
CTSS P25774 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL4520494 0.91 MAOB (0.38) MAT2AMAOBADORA2ATRPA1ALDH1A1
SCHEMBL4512027 0.91 MAPK14 (0.39) JAK2JAK1TYK2JAK3TDP2
SCHEMBL4521828 0.89 MAT2A (0.40) MAT2AMAOBADORA2ATRPA1ALDH1A1
SCHEMBL4520689 0.88 MAOB (0.37) MAT2AMAOBADORA2ATRPA1ALDH1A1
SCHEMBL4525520 0.87 MAPK1 (0.42) JAK2JAK1TYK2JAK3TDP2
SCHEMBL4519193 0.86 PDE4B (0.39) MAOBADORA2ATRPA1ALDH1A1POLB
SCHEMBL4523638 0.85 GSR (0.41) MAT2AKMT2A
SCHEMBL4517182 0.84 TP53 (0.37) MAOBADORA2ATRPA1ALDH1A1POLB
SCHEMBL4520031 0.84 JAK2 (0.36) JAK2JAK1TYK2JAK3TDP2
SCHEMBL4516517 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3MAOB

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 JAK2 1738/4885JAK1 1831/4885TYK2 3383/4885

“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.