SCHEMBL4520024

SCHEMBL4520024

Cn1cnc2c(=O)n(-c3ccc(F)c(F)c3)c(Cc3cccc(F)c3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.35
MAOB P27338 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH1A3 P47895 1/20 0.32
MPO P05164 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
SCHEMBL4525993 0.91 DRD1 (0.37) MAPK14MAOBMALT1TSHRALDH1A2
SCHEMBL4505798 0.91 HKDC1 (0.39) MAPK14MAOBMAPK1TSHRATM
SCHEMBL4516517 0.86 JAK2 (0.37) MAOBALDH1A2ALDH1A3
SCHEMBL4522019 0.85 MAPK14 (0.36) MAPK14MALT1MAPK1SMN1; SMN2
SCHEMBL4520689 0.84 MAOB (0.37) MAPK14MAOBMALT1MAPK1TSHR
SCHEMBL4521219 0.84 MALT1 (0.35) MAPK14MALT1SMN1; SMN2ALDH1A1ALDH1A2
SCHEMBL4517370 0.84 GRM1 (0.37) MAPK14MAPK1
SCHEMBL4772515 0.84 KMT2A (0.38) MAPK14MAPK1TSHRSMN1; SMN2
SCHEMBL4519861 0.83 SMN1; SMN2 (0.38) MAPK14MAOBMAPK1TSHRATM
SCHEMBL4525470 0.83 MAPK1 (0.44) MAPK14MAOBMALT1MAPK1L3MBTL1

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 MAPK14 3169/4885MAOB 2706/4885MALT1 926/4885

“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.