Sugi Predict

Sugi Predict / Compounds / SCHEMBL1313601

SCHEMBL1313601

SCHEMBL1313601

CN(C)CCCCNC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 3/20 0.54
▸ ADH1A P07327 3/20 0.54
▸ ADH7 P40394 3/20 0.54
▸ ADH1C P00326 2/20 0.54
▸ EPHX1 P07099 1/20 0.52
▸ ADH4 P08319 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PAOX Q6QHF9 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DNM1 Q05193 3/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PRMT3 O60678 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL6984194 0.98 ADH1B (0.56) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL6984032 0.98 ADH1B (0.56) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7294488 0.98 ADH1B (0.56) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL93285 0.95 — —
Hydrochloric Acid SCHEMBL4797793 0.93 ADH1B (0.52) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL10918505 0.87 ADH1B (0.46) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL93136 0.84 — —
Hydrochloric Acid SCHEMBL3855665 0.82 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL11318180 0.82 ADH1B (0.56) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL21900916 0.81 ADH1B (0.56) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 — — EP claimed
US-8420820-B2 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GMBH (DE) 2013-04-16 — — US claimed
JP-2011526260-A — — 2011-10-06 — — JP claimed
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MERCK PATENT GESELLSCHAFT (DE) 2011-09-08 — — US claimed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 — — US claimed
EP-2291375-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES Merck Patent GmbH (DE) 2011-03-09 — — EP claimed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 — — EP claimed
WO-2010000364-A1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-01-07 — — WO claimed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 — — WO claimed
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 — — US disclosed
US-20180216294-A1 METHOD FOR PRODUCING PAPER BASF SE (DE) 2018-08-02 — — US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 — — US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 — — US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 — — US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 — — US disclosed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 — — US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 — — EP disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 — — EP disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 — — WO disclosed
EP-0705834-A1 Quinoxaline-2,3-diones with an azaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 — — 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 (7 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-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 ADH1B 118/4885ADH1A 145/4885ADH7 270/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ADH1B 4400/4885ADH1A 3780/4885ADH7 4298/4885
US-20110218198-A1 Pyrrolopyridinylpyrimidin-2-ylamine derivatives MKI67, CCNT1, CCNI ADH1B 2833/4885ADH1A 3727/4885ADH7 2695/4885
US-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA ADH1B 2064/4885ADH1A 566/4885ADH7 2067/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 ADH1B 118/4885ADH1A 145/4885ADH7 270/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC ADH1B 709/4885ADH1A 2043/4885ADH7 1252/4885
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA ADH1B 3722/4885ADH1A 4212/4885ADH7 3356/4885

“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.