SCHEMBL3385296

SCHEMBL3385296

NC(=O)Nc1csc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
KDR P35968 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL10861810 0.84 PKM (0.58) IRAK4PKMRAB9AMAPTNPC1
SCHEMBL8440763 0.84 TDP1 (0.43) LIMK1IRAK4PKMMAPTHDAC3
Hydrochloric Acid SCHEMBL6537477 0.76 IRAK4 (0.48) IRAK4MAPTKDRCYP3A4SMN1; SMN2
SCHEMBL514543 0.76 HTT (0.50) RAB9AMAPTNPC1KDRHDAC3
SCHEMBL19555042 0.76 PARP1 (0.53) LIMK1IRAK4RAB9AMAPTNPC1
SCHEMBL30844941 0.76 PARP1 (0.53) LIMK1IRAK4RAB9AMAPTNPC1
SCHEMBL18879023 0.75 IRAK4 (0.40) LIMK1IRAK4PKMMAPTNPC1
SCHEMBL6586102 0.75 PKM (0.72) PKMRAB9AMAPTNPC1HDAC3
SCHEMBL31324883 0.74 GRM4 (0.43) RAB9AMAPTNPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL30845090 0.74 PARP1 (0.51) LIMK1IRAK4RAB9AMAPTNPC1

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
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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 (2 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 LIMK1 2770/4885IRAK4 771/4885PKM 4442/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD LIMK1 2685/4885IRAK4 813/4885PKM 4454/4885

“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.