Sugi Predict

Sugi Predict / Compounds / SCHEMBL4698008

SCHEMBL4698008

SCHEMBL4698008

O=C(O)c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.70
▸ TSHR P16473 2/20 0.70
▸ TP53 P04637 1/20 0.70
▸ POLB P06746 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ NFE2L2 Q16236 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ MAPK14 Q16539 1/20 0.55
▸ ESR1 P03372 1/20 0.55

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
SCHEMBL22887475 0.90 KDM4E (0.60) KDM4ETSHRTP53POLBALDH1A1
SCHEMBL22887508 0.90 KDM4E (0.60) KDM4ETSHRTP53POLBALDH1A1
SCHEMBL15459823 0.88 ALDH1A1 (0.67) KDM4ETSHRTP53ALDH1A1EPHX2
SCHEMBL4376838 0.88 KDM4E (0.68) KDM4ETSHRTP53ALDH1A1EPHX2
SCHEMBL10480077 0.88 KDM4E (0.65) KDM4ETSHRTP53ALDH1A1EPHX2
SCHEMBL9942403 0.88 HRH3 (0.69) KDM4EPOLBKMT2AGAAHRH3
SCHEMBL18265845 0.86 HRH3 (0.71) KDM4EPOLBGAAHRH3ESR1
SCHEMBL2741672 0.86 HRH3 (0.71) KDM4EPOLBGAAHRH3ESR1
SCHEMBL19172409 0.86 HRH3 (0.71) KDM4EPOLBGAAHRH3ESR1
SCHEMBL18595108 0.86 HRH3 (0.71) KDM4EPOLBGAAHRH3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479536-B1 Arylacetamides as AMP-activated protein kinase inhibitors and their use for treatment of breast cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-10-25 — — US disclosed
US-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 — — US disclosed
US-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 — — US disclosed
US-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-07-27 — — US disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP disclosed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 — — US disclosed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 — — US disclosed
US-9585886-B2 ASK1 inhibiting pyrrolopyrimidine derivatives CALCHAN LIMITED (GB) 2017-03-07 — — US disclosed
EP-2651417-B1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES CALCHAN LTD (GB) 2016-11-30 — — EP disclosed
EP-2651417-B1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES CALCHAN LTD (GB) 2016-11-30 — — EP disclosed
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited 2014-02-06 — — US disclosed
EP-2651417-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2013-10-23 — — EP disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 — — US disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 — — WO disclosed
WO-2012080735-A1 ASK1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-06-21 — — WO disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 — — EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 — — US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 — — 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-20170210748-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 KDM4E 1099/4885TSHR 2727/4885TP53 180/4885
US-20140038957-A1 ASK 1 INHIBITING PYRROLOPYRIMIDINE DERIVATIVES YES1, IRAK1, TBK1 KDM4E 1099/4885TSHR 2727/4885TP53 180/4885
US-11479536-B1 Arylacetamides as AMP-activated protein kinase inhibitors and their use for treatment of breast cancer PRKAA2, PRKAA1, PRKAG2 KDM4E 1837/4885TSHR 1492/4885TP53 194/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 KDM4E 1556/4885TSHR 2559/4885TP53 212/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 KDM4E 4177/4885TSHR 3652/4885TP53 1327/4885

“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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