SCHEMBL1781920

SCHEMBL1781920

CCN1CCC(NC=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.52
ADH1A P07327 4/20 0.52
ADH1C P00326 3/20 0.48
ADH7 P40394 2/20 0.48
ADH4 P08319 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 2/20 0.41
EPHX2 P34913 1/20 0.41
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3928027 0.88 ADH1B (0.43) ADH1BADH1AADH1CADH7ADH4
SCHEMBL28313628 0.81 GNAI3 (0.50) ADH1BADH1AADH1CADH7ADH4
SCHEMBL28267489 0.80 GNAO1 (0.56) ADH1BADH1AADH1CADH7EPHX1
SCHEMBL23741025 0.79 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL14504027 0.79 ADH1B (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL172647 0.77 ADH1B (0.40) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3926638 0.77 ADH1B (0.47) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3343259 0.76 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1307156 0.76 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL23973906 0.76 TSHR (0.49) ADH1BADH1AADH1CADH7ADH4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO claimed
CN-110105346-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2019-08-09 CN disclosed
CN-106414432-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2019-06-14 CN disclosed
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 EP disclosed
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 disclosed
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 disclosed
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 disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ADH1B 4400/4885ADH1A 3780/4885ADH1C 3268/4885
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 ADH1B 611/4885ADH1A 1292/4885ADH1C 1017/4885

“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.