Sugi Predict

Sugi Predict / Compounds / SCHEMBL65972

SCHEMBL65972

SCHEMBL65972

COc1cc(NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AAK1 Q2M2I8 2/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GLP1R P43220 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ RORC P51449 1/20 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
SCHEMBL31061614 1.00 ALDH1A1 (0.48) ALDH1A1GAACA12CA1CA9
SCHEMBL18929197 0.90 ALDH1A1 (0.43) ALDH1A1GAACA12CA1CA9
SCHEMBL18901104 0.89 ALDH1A1 (0.40) ALDH1A1GAACA12CA1CA9
SCHEMBL2682540 0.87 IDH1 (0.40) ALDH1A1GAACA12CA1CA9
SCHEMBL12072363 0.85 CA12 (0.49) ALDH1A1GAACA12CA1CA9
SCHEMBL15897920 0.85 CA12 (0.41) ALDH1A1GAACA12CA1CA9
SCHEMBL15897919 0.84 AAK1 (0.45) ALDH1A1GAACA12CA1CA9
SCHEMBL18821375 0.84 CA12 (0.43) ALDH1A1GAACA12CA1CA9
SCHEMBL13035973 0.84 CA12 (0.43) ALDH1A1GAACA12CA1CA9
SCHEMBL2635866 0.84 KMT2A (0.40) ALDH1A1GAAIMPDH2IMPDH1CYP1A2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 — — EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 — — US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
US-9708337-B2 Aryl amide-based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 — — US disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 — — US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 — — WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 — — US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 — — US disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 — — WO disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 — — EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 — — US disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 — — EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 — — 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 (4 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ALDH1A1 4383/4885GAA 3489/4885CA12 4857/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885GAA 4258/4885CA12 3738/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 ALDH1A1 1059/4885GAA 4140/4885CA12 4445/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885GAA 4258/4885CA12 3738/4885

“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.