SCHEMBL4074309

SCHEMBL4074309

Clc1cc(OCc2ccccc2)ccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
PRKX P51817 1/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAOB P27338 6/20 0.41
TOP1 P11387 1/20 0.38
PRMT5 O14744 2/20 0.38
MAOA P21397 3/20 0.38
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.37
MCHR1 Q99705 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PTGS1 P23219 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
SCHEMBL4073057 0.91 MAOB (0.41) S1PR1PRKXACVR1S1PR5MAOB
SCHEMBL1283689 0.81 MAOB (0.50) MAOBALOX5KMT2A
SCHEMBL4127757 0.80 PTGER1 (0.46)
SCHEMBL4141765 0.79 BRD4 (0.47)
Hydrochloric Acid SCHEMBL4132699 0.77 MAPK14 (0.42) S1PR1PRKXACVR1S1PR5MAOB
SCHEMBL4079533 0.76 PTGS1 (0.43) PTGS1PTGS2
SCHEMBL4072097 0.76 HSD11B1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL4075129 0.70 MAPK14 (0.39) S1PR1PRKXACVR1S1PR5KMT2A
Hydrochloric Acid SCHEMBL4358932 0.70 MAPK14 (0.40) S1PR1PRKXACVR1S1PR5MAOB
SCHEMBL1461751 0.68 MAOB (0.57) S1PR1PRKXACVR1S1PR5MAOB

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-8076356-B2 Triazolopyridinylsulfanyl derivatives as P38 map kinase inhibitors PFIZER INC. (US) 2011-12-13 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-2081893-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2008049116-A2 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-04-24 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-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 S1PR1 571/4885PRKX 699/4885ACVR1 1262/4885

“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.