SCHEMBL2857964

SCHEMBL2857964

NCC(=O)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.76
▸ NPC1 O15118 4/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ PKM P14618 2/20 0.63
▸ HDAC3 O15379 3/20 0.59
▸ HDAC4 P56524 3/20 0.59
▸ HDAC1 Q13547 3/20 0.59
▸ HDAC7 Q8WUI4 3/20 0.59
▸ HDAC2 Q92769 3/20 0.59
▸ HDAC10 Q969S8 3/20 0.59
▸ HDAC11 Q96DB2 3/20 0.59
▸ HDAC8 Q9BY41 3/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.59
▸ HDAC9 Q9UKV0 3/20 0.59
▸ HDAC5 Q9UQL6 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58

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 SCHEMBL30225316 0.98 GAA (0.73) GAANPC1RAB9APKMHDAC3
SCHEMBL13149787 0.87 GAA (0.73) GAANPC1RAB9APKMHDAC3
SCHEMBL6245092 0.86 GAA (1.00) GAANPC1RAB9APKMHDAC3
Iodide SCHEMBL3141619 0.86 GAA (0.71) GAANPC1RAB9APKMHDAC3
SCHEMBL9689348 0.84 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL4491035 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL7006640 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL1185012 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL1430541 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL22281652 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 — — EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO claimed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 — — US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 — — US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 — — US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 — — US disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 — — US disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 — — WO disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 — — WO disclosed
WO-2019118313-A1 IMIDAZO [1,2-C] QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2019-06-20 — — WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US disclosed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 — — WO disclosed
EP-0796847-B1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO CO LTD (JP) 2001-11-28 — — EP disclosed
US-6017937-A BACTERICIDE AGAINST HELICOBACTER PYROLI; INHIBITING ACID SECRETION IN STOMACH OF MAN OR MAMMALS, PREVENTING OR CURING ULCER SHISEIDO CO., LTD. (JP) 2000-01-25 — — US disclosed
US-5859032-A HAVING ANTIBACTERIAL ACTIVITY AGAINST HELICOBACTER PYLORI SHISEIDO CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0796847-A1 Pyridine derivative, anti-ulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-09-24 — — 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 (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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 GAA 634/4885NPC1 897/4885RAB9A 2710/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI GAA 1395/4885NPC1 389/4885RAB9A 2831/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 GAA 270/4885NPC1 3445/4885RAB9A 1690/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI GAA 1395/4885NPC1 389/4885RAB9A 2831/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 GAA 1611/4885NPC1 2242/4885RAB9A 2013/4885

“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.

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