SCHEMBL5237356

SCHEMBL5237356

CCOC(=O)c1csc(-c2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRKCZ Q05513 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CASP3 P42574 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MAPK14 Q16539 2/20 0.48
GCGR P47871 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
GRM6 O15303 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12172203 0.88 TRPM8 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL980974 0.86 PRKCZ (0.53) MAPTNPC1RAB9ASMN1; SMN2PRKCZ
SCHEMBL938199 0.85 HPGD (0.55) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL939732 0.84 ALDH1A1 (0.52) MAPK14GCGRALDH1A1HPGD
SCHEMBL29383542 0.81 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2PRKCZ
SCHEMBL9454728 0.80 HSD17B10 (0.53) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL980147 0.78 CA12 (0.42) MAPTNPC1RAB9ASMN1; SMN2PRKCZ
SCHEMBL7365076 0.78 KMT2A (0.69) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31704904 0.77 CYP2C9 (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31706596 0.77 CYP2C9 (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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
EP-1745051-A1 THIENOPYRIDAZINES AS IKK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-24 EP disclosed
US-7135470-B2 Thienopyridazines as IKK inhibitors ROCHE PALO ALTO LLC (US) 2006-11-14 US disclosed
US-20050272730-A1 Thienopyridazines as IKK inhibitors ROCHE PALO ALTO LLC 2005-12-08 US disclosed
WO-2005105808-A1 THIENOPYRIDAZINES AS IKK INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-11-10 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-20050272730-A1 Thienopyridazines as IKK inhibitors IKBKE, IKBKB, NFKBIA MAPT 3104/4885KDM4E 1039/4885NPC1 2505/4885

“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.