Sugi Predict

Sugi Predict / Compounds / SCHEMBL2274532

SCHEMBL2274532

SCHEMBL2274532

OCc1cc(F)c2nc(Br)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 8/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ POLB P06746 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
SCHEMBL26046820 0.79 ALDH1A1 (0.36) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL19782540 0.77 ALDH1A1 (0.42) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL30189617 0.77 ALDH1A1 (0.42) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL17856111 0.76 ALDH1A1 (0.44) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL19783572 0.76 RAB9A (0.62) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL24603433 0.73 ALDH1A1 (0.46) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL30626900 0.73 ALDH1A1 (0.46) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL22395360 0.71 GAA (0.43) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL17839867 0.69 ALDH1A1 (0.39) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL2274086 0.69 RAB9A (0.39) RAB9AALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081276-A1 COMPOUNDS TESARO, INC. (US) 2018-05-03 — — WO disclosed
EP-2266981-B1 Benzothiazole compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-07-06 — — EP disclosed
EP-2266981-B1 Benzothiazole compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-07-06 — — EP disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 — — US disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 — — US disclosed
US-7994337-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 — — US disclosed
EP-2266981-A2 Benzothiazole compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2010-12-29 — — EP disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 — — US disclosed
US-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-05-07 — — 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
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
US-7473784-B2 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 — — US disclosed
EP-1910348-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-04-16 — — EP disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
WO-2007016392-A2 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 — — 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-20090118272-A1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS GRK2, MAPK9, MAPK1 RAB9A 263/4885ALDH1A1 2753/4885MEN1 3704/4885
US-20070185175-A1 Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors GRK2, MAPK1, GRK4 RAB9A 345/4885ALDH1A1 3091/4885MEN1 3532/4885

“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.