SCHEMBL4515441

SCHEMBL4515441

CCOC(=O)c1c(C)nc(SC)nc1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ ALOX5 P09917 3/20 0.47
▸ PTGES O14684 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4511334 0.86 ADORA3 (0.49) ADORA3KDM4E
SCHEMBL4425051 0.85 KDM4E (0.55) ADORA3SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL13936982 0.85 ADORA3 (0.48) ADORA3TRPM8SMN1; SMN2MAPTKDM4E
SCHEMBL28478958 0.85 TRPM8 (0.58) ADORA3TRPM8SMN1; SMN2MAPTKDM4E
SCHEMBL4504538 0.84 ALDH1A1 (0.47) ADORA3KDM4EALDH1A1GAA
SCHEMBL10375304 0.83 KDM4E (0.61) ADORA3TRPM8SMN1; SMN2MAPTKDM4E
SCHEMBL13780323 0.79 ADORA3 (0.57) ADORA3SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL1298512 0.78 POLB (0.63) ADORA3SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2131332 0.77 LHCGR (0.61) TRPM8SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL18305004 0.75 LMNA (0.49) ADORA3SMN1; SMN2MAPTKDM4ENPC1

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-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 — — US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 — — EP 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS ADORA3 495/4885TRPM8 4150/4885SMN1; SMN2 3983/4885
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E ADORA3 102/4885TRPM8 73/4885SMN1; SMN2 758/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E ADORA3 107/4885TRPM8 87/4885SMN1; SMN2 779/4885

“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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