SCHEMBL5428540

SCHEMBL5428540

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(SCc3csc(C(F)(F)F)n3)nc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TGM2 P21980 1/20 0.35
TP53 P04637 3/20 0.35
ALDH1A2 O94788 4/20 0.35
ALDH1A3 P47895 4/20 0.35
LMNA P02545 4/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 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
SCHEMBL5431647 0.86 NPSR1 (0.38) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL5436198 0.83 ALDH1A2 (0.40) KMT2AALDH1A1NPSR1MAPK10MAOA
SCHEMBL5434276 0.80 ALDH1A1 (0.47) KMT2AALDH1A1NPSR1MAPK10ALDH1A2
SCHEMBL5432034 0.79 NPSR1 (0.41) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL5425818 0.78 ALDH1A2 (0.38) KMT2AALDH1A1NPSR1MAOAMAOB
SCHEMBL27670844 0.78 NPC1 (0.34) ALDH1A1TSHRSMN1; SMN2LMNANPC1
SCHEMBL5445402 0.77 CTSS (0.36) MEN1KMT2AALDH1A1NPSR1TP53
SCHEMBL5427490 0.74 CNR1 (0.33) MEN1KMT2AALDH1A1NPSR1TSHR
SCHEMBL4098422 0.74 MCHR1 (0.41) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL5440484 0.74 DDR1 (0.39) MEN1KMT2AALDH1A1NPSR1MAOA

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 6 patents. 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 claimed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP claimed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 WO claimed
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
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 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-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 4422/4885ALDH1A1 825/4885

“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.