Sugi Predict

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SCHEMBL110399

SCHEMBL110399

COC(=O)c1cc(Br)nc(-c2ccc(OC)c(Cl)c2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.45
▸ GAA P10253 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ ACLY P53396 2/20 0.37

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
SCHEMBL110319 0.84 MAPT (0.48) KDM4EPOLBKMT2ALMNADHODH
SCHEMBL15976008 0.81 KMO (0.40) KMOGAAKMT2ALMNADHODH
SCHEMBL109071 0.80 CA12 (0.42) GAAKDM4EPOLBKMT2ALMNA
SCHEMBL139223 0.80 MAPT (0.47) GAAKDM4EKMT2ALMNATP53
SCHEMBL23958640 0.79 LMNA (0.49) GAAKDM4ELMNADHODHMAPT
SCHEMBL139273 0.79 MKNK1 (0.45) KDM4EKMT2ARCE1L3MBTL1MEN1
SCHEMBL110248 0.77 KDM4E (0.42) GAAKDM4EPOLBKMT2ATP53
SCHEMBL109836 0.76 ALOX5AP (0.40) GAAKDM4EPOLBKMT2AMAPT
SCHEMBL110648 0.75 CA12 (0.47) GAAKDM4EPOLBKMT2ALMNA
SCHEMBL111300 0.74 ALDH1A1 (0.41) GAAKDM4EKMT2ADHODHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 — — US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 — — EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 — — EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 — — 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 (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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 KMO 565/4885GAA 1883/4885ADORA2A 2550/4885

“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.