SCHEMBL1992040

SCHEMBL1992040

Cc1csc2c(=O)n(-c3ccc(Cl)cc3)c(Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GRM1 Q13255 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MC4R P32245 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL3191018 0.86 POLB (0.49) POLBGRM1SMN1; SMN2MAPTRAB9A
SCHEMBL4083046 0.83 POLB (0.46) POLBGRM1SMN1; SMN2MAPTRAB9A
SCHEMBL4516570 0.77 POLB (0.41) POLBGRM1SMN1; SMN2MAPTRAB9A
SCHEMBL4098553 0.76 POLB (0.40) POLBGRM1SMN1; SMN2MAPTMEN1
SCHEMBL2233368 0.76 POLB (0.40) POLBGRM1SMN1; SMN2MEN1KMT2A
SCHEMBL4515956 0.76 POLB (0.40) POLBGRM1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4523280 0.76 POLB (0.40) POLBGRM1SMN1; SMN2MEN1KMT2A
SCHEMBL5433642 0.76 POLB (0.40) POLBGRM1SMN1; SMN2MAPTMEN1
SCHEMBL5431417 0.76 POLB (0.40) POLBGRM1SMN1; SMN2MAPTRAB9A
SCHEMBL3175372 0.75 POLB (0.39) POLBGRM1SMN1; SMN2KMT2APDE4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866310-B1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2012-07-11 EP disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
WO-2008066664-A2 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-06-05 WO disclosed
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 (3 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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 POLB 2868/4885GRM1 261/4885SMN1; SMN2 2096/4885
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 POLB 3292/4885GRM1 99/4885SMN1; SMN2 3364/4885
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 POLB 4218/4885GRM1 136/4885SMN1; SMN2 3016/4885

“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.