SCHEMBL4520689

SCHEMBL4520689

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(Cc3ccc(Cl)cc3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
TRPA1 O75762 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
MAPK14 Q16539 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
MAT2A P31153 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL4519193 0.94 PDE4B (0.39) MAOBADORA2ATRPA1POLBKMT2A
SCHEMBL4520494 0.94 MAOB (0.38) MAOBADORA2ATRPA1POLBKMT2A
SCHEMBL4772515 0.93 KMT2A (0.38) POLBKMT2ATSHRBRD9MAPK14
SCHEMBL4521828 0.92 MAT2A (0.40) MAOBADORA2ATRPA1POLBKMT2A
SCHEMBL4522019 0.91 MAPK14 (0.36) BRD9MAPK14MALT1MAPK1NPSR1
SCHEMBL4517182 0.90 TP53 (0.37) MAOBADORA2ATRPA1POLBKMT2A
SCHEMBL4525470 0.88 MAPK1 (0.44) MAOBPOLBKMT2AALDH1A1BRD9
SCHEMBL4523638 0.88 GSR (0.41) KMT2ABRD9MAPK14MAPK1NPSR1
SCHEMBL4528678 0.88 JAK2 (0.37) MAOBADORA2ATRPA1POLBKMT2A
SCHEMBL4518340 0.86 MAPK1 (0.40) TRPA1BRD9MAPK14MAPK1NPSR1

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 MAOB 2706/4885ADORA2A 495/4885TRPA1 7/4885

“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.