Sugi Predict

Sugi Predict / Compounds / SCHEMBL265032

SCHEMBL265032

SCHEMBL265032

COC(=O)c1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ RPS6KA3 P51812 1/20 0.56
▸ SLC2A1 P11166 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ ROCK2 O75116 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ CSNK2A1 P68400 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ FGFR1 P11362 1/20 0.45

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
SCHEMBL31067306 1.00 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL29698253 0.88 SLC2A1 (0.71) PARP1CHEK1PIM1SLC2A1ALDH1A1
SCHEMBL263292 0.88 SLC2A1 (0.71) PARP1CHEK1PIM1SLC2A1ALDH1A1
SCHEMBL17796244 0.85 PARP1 (0.52) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL13908150 0.83 SLC2A1 (0.77) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL30634369 0.82 CSNK2A1 (0.44) PARP1ALDH1A1DYRK1ASMN1; SMN2ALOX15
SCHEMBL263941 0.81 PARP1 (0.58) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL2116618 0.81 HDAC6 (0.61) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL30205640 0.80 PARP1 (0.57) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL2315757 0.80 PARP1 (0.57) PARP1CHEK1PIM1RPS6KA3SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 — — US disclosed
EP-4025570-A1 HYDANTOIN DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2022-07-13 — — EP disclosed
WO-2021043245-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 — — WO disclosed
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-21 — — US disclosed
WO-2019170543-A1 IDENTIFICATION AND USE OF ERK5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-12 — — WO disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 — — US disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 — — WO disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 — — WO disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 — — US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 — — US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 — — US disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 — — US disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 — — EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 — — US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 — — EP 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-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, RYR1 PARP1 1597/4885CHEK1 2314/4885PIM1 4635/4885
US-20210017174-A1 IDENTIFICATION AND USE OF ERK5 INHIBITOR MAPK15, MAPKAPK5, MAP3K5 PARP1 2057/4885CHEK1 198/4885PIM1 768/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PARP1 383/4885CHEK1 2998/4885PIM1 4536/4885
US-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 PARP1 789/4885CHEK1 453/4885PIM1 1916/4885

“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.