Sugi Predict

Sugi Predict / Compounds / SCHEMBL2463808

SCHEMBL2463808

SCHEMBL2463808

[CH2]c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ LTA4H P09960 1/20 0.55
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 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
SCHEMBL14578276 0.88 ALDH1A1 (0.69) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL7955174 0.86 LTA4H (0.66) KDM4ETSHRALDH1A1HTTSMN1; SMN2
SCHEMBL7954345 0.84 KMT2A (0.68) KDM4EALDH1A1HTTSMN1; SMN2LTA4H
SCHEMBL6583850 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL19560133 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL24737235 0.82 KDM4E (0.61) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL3657047 0.82 KDM4E (0.64) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL259183 0.82 KDM4E (0.63) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL5323122 0.82 KDM4E (0.64) KDM4ETSHRTP53ALDH1A1HTT
SCHEMBL521854 0.82 LTA4H (0.63) KDM4ETSHRTP53ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 — — EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 — — US claimed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 — — US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US claimed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 — — EP claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 — — EP claimed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 — — WO claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 — — WO claimed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 — — US claimed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 — — WO claimed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 — — US disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 — — US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 — — US disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 — — WO disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 — — WO disclosed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 — — US disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 — — 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 (2 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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KDM4E 761/4885TSHR 4334/4885TP53 559/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3277/4885TSHR 1901/4885TP53 644/4885

“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.