SCHEMBL10077600

SCHEMBL10077600

Cc1csc(NC(=O)c2csc(-c3cccnc3)n2)c1C=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.67
HDAC6 Q9UBN7 1/20 0.61
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TLR7 Q9NYK1 1/20 0.58
HDAC2 Q92769 1/20 0.57
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CHEK1 O14757 1/20 0.50

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
SCHEMBL2141492 0.84 IRAK4 (0.66) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL11388948 0.78 HDAC6 (0.78) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL10077178 0.77 IRAK4 (0.66) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL24755152 0.76 HDAC6 (1.00) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL28970478 0.75 HDAC6 (0.78) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL12800226 0.74 IRAK4 (1.00) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL4734401 0.74 HDAC6 (0.70) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL13602299 0.74 HDAC6 (0.70) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL28784680 0.73 HDAC6 (0.74) IRAK4HDAC6NPC1RAB9ATLR7
SCHEMBL12571448 0.73 HDAC6 (0.69) IRAK4HDAC6NPC1RAB9ATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148411-B2 2-hetarylthiazole-4-carboxamide derivatives, their preparation and use as pharmaceuticals BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-03 US disclosed
US-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER SCHERING PHARMA AG (DE) 2009-08-13 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 (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-20090203715-A1 NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CNR2, CYP11B2, CYP2C19 IRAK4 788/4885HDAC6 128/4885NPC1 182/4885

“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.