SCHEMBL12401951

SCHEMBL12401951

CC(C)Nc1nc2ccc(C=O)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
MAPK14 Q16539 12/20 0.34
CCR1 P32246 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL2279175 0.86 MAPK14 (0.36) MAPK14CCR1ALDH1A1ALOX15HSD17B10
SCHEMBL13852159 0.80 CCR1 (0.37) CCR1ALDH1A1POLB
SCHEMBL18517598 0.80 IDO1 (0.42) CCR1ALDH1A1MAPTPKMPOLB
SCHEMBL2279956 0.76 IRAK4 (0.52) IRAK4CCNA2CDK2MAPK14MAPK13
SCHEMBL2275412 0.75 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL31003229 0.74 CCR1 (0.41) CCR1ALDH1A1MAPTPKMHSD17B10
SCHEMBL9256292 0.74 CCR1 (0.41) CCR1ALDH1A1MAPTPKMHSD17B10
SCHEMBL12373205 0.73 IRAK4 (0.37) IRAK4CCNA2CDK2MAPK14ALDH1A1
SCHEMBL2275906 0.73 IRAK4 (0.37) IRAK4CCNA2CDK2MAPK14CCR1
SCHEMBL2277402 0.72 NPC1 (0.41) IRAK4CCNA2CDK2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 IRAK4 610/4885CCNA2 831/4885CDK2 98/4885

“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.