SCHEMBL5436136

SCHEMBL5436136

Cc1nc(CSc2nc3c(ncn3C)c(=O)n2-c2ccc(Cl)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ ALDH1A2 O94788 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ PTGS2 P35354 6/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL5434276 0.89 ALDH1A1 (0.47) ALDH1A1MAPK10ALDH1A2ALDH1A3METAP2
SCHEMBL5436198 0.88 ALDH1A2 (0.40) ALDH1A1MAPK10ALDH1A2ALDH1A3PTGS2
SCHEMBL5435498 0.80 ALDH1A2 (0.40) ALDH1A1ALDH1A2ALDH1A3PTGS2MAOA
SCHEMBL5426588 0.80 ALDH1A2 (0.43) ALDH1A1ALDH1A2ALDH1A3
SCHEMBL5440520 0.80 ALDH1A2 (0.42) ALDH1A1ALDH1A2ALDH1A3PTGS2MAOA
SCHEMBL5436112 0.79 KMT2A (0.50) ALDH1A2ALDH1A3MAOAMAOBKMT2A
SCHEMBL5431675 0.78 ALDH1A2 (0.49) ALDH1A1ALDH1A2ALDH1A3MAOAMAOB
SCHEMBL5434299 0.78 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1
SCHEMBL5437956 0.78 ATM (0.42) ALDH1A1ALDH1A2ALDH1A3MAOAMAOB
SCHEMBL5438632 0.78 MAOB (0.55) ALDH1A1ALDH1A2ALDH1A3MAOAMAOB

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 4 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

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 ALDH1A1 825/4885MAPK10 2076/4885ALDH1A2 1259/4885

“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.

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