SCHEMBL13852159

SCHEMBL13852159

O=Cc1ccc2nc(NI)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
RRM2 P31350 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL18517598 0.83 IDO1 (0.42) CCR1RRM2ALDH1A1POLB
SCHEMBL12401951 0.80 IRAK4 (0.37) CCR1ALDH1A1POLB
SCHEMBL2279175 0.75 MAPK14 (0.36) CCR1ALDH1A1POLB
SCHEMBL31003229 0.74 CCR1 (0.41) CCR1ALDH1A1POLB
SCHEMBL9256292 0.74 CCR1 (0.41) CCR1ALDH1A1POLB
SCHEMBL18517575 0.74 CCR1 (0.41) CCR1RRM2ALDH1A1
SCHEMBL17901890 0.70 CCR1 (0.37) CCR1ALDH1A1
SCHEMBL12402766 0.68 HSD17B1 (0.31) ALDH1A1
SCHEMBL22298536 0.60 MGAM (0.37) ALDH1A1
SCHEMBL21018542 0.60 CCR1 (0.50) CCR1RRM2ALDH1A1

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-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 CCR1 2351/4885RRM2 949/4885ALDH1A1 2753/4885

“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.