SCHEMBL546571

SCHEMBL546571

Nc1ccc(C(=O)N2CCOCC2)cc1N

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
HPGD P15428 5/20 0.59
PHGDH O43175 1/20 0.58
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
DNMT1 P26358 1/20 0.54
PTPN7 P35236 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 1/20 0.53
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
Hydrochloric Acid SCHEMBL2947507 0.98 PKM (0.60) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL16054060 0.88 HRH3 (0.53) PKMHPGDPHGDHPOLBSMN1; SMN2
SCHEMBL16054621 0.88 JAK2 (0.62) PKMHPGDPHGDHKMT2AAKR1C3
SCHEMBL990490 0.88 L3MBTL3 (0.51) HPGDKDM4EKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6780871 0.87 HSP90AA1 (0.59) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL3226524 0.86 HPGD (0.71) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL11976981 0.86 PHGDH (0.58) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL2376730 0.86 HPGD (0.67) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL8280049 0.86 PKM (0.57) PKMHPGDPHGDHHSP90AA1HSP90AB1
SCHEMBL15652845 0.86 PKM (0.75) PKMHPGDPHGDHKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217551-B Substituted indazole or azaindazole compounds and application thereof 河南中医药大学 2024-07-30 CN disclosed
CN-113214287-B HPK1 inhibitors and methods of use thereof 大学健康网络 2023-10-20 CN disclosed
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 US disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 EP disclosed
WO-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2020-06-18 US disclosed
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-06-28 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070195-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-4312873-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1982-01-26 US disclosed
US-4191764-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1980-03-04 US disclosed
US-4139626-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1979-02-13 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 (5 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-11059832-B2 HPK1 inhibitors and methods of using same PDXK, PDK3, PDK2 PKM 181/4885HPGD 261/4885PHGDH 488/4885
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 PKM 181/4885HPGD 261/4885PHGDH 488/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 PKM 355/4885HPGD 2897/4885PHGDH 796/4885
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 PKM 153/4885HPGD 259/4885PHGDH 475/4885
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 PKM 181/4885HPGD 261/4885PHGDH 488/4885

“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.