SCHEMBL20076060

SCHEMBL20076060

O=C1NCCCCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.75
PARP11 Q9NR21 8/20 0.75
PARP1 P09874 6/20 0.75
PDPK1 O15530 1/20 0.75
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
CYP2A6 P11509 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CES1 P23141 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL29752161 1.00 PARP10 (0.75) PARP10PARP11PARP1PDPK1CA12
SCHEMBL1894080 0.94 PARP10 (0.78) PARP10PARP11PARP1PDPK1CA12
Oxalic Acid SCHEMBL8187201 0.86 PARP11 (0.66) PARP10PARP11PARP1PDPK1CA12
SCHEMBL67710 0.86 PARP10 (1.00) PARP10PARP11PARP1PDPK1CA12
SCHEMBL29369705 0.86 PARP10 (1.00) PARP10PARP11PARP1PDPK1CA12
Hydrochloric Acid SCHEMBL29896921 0.84 PARP10 (0.96) PARP10PARP11PARP1PDPK1CA12
Hydrochloric Acid SCHEMBL10647408 0.84 PARP10 (0.96) PARP10PARP11PARP1PDPK1CA12
Piperazine SCHEMBL28321362 0.81 PARP10 (0.89) PARP10PARP11PARP1PDPK1CA12
SCHEMBL15127502 0.75 PARP10 (0.78) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL6731060 0.75 PARP11 (0.51) PARP10PARP11PARP1PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 PARP10 1247/4885PARP11 836/4885PARP1 1362/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 PARP10 1247/4885PARP11 836/4885PARP1 1362/4885

“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.