SCHEMBL25093041

SCHEMBL25093041

O=C(NC1CC1)c1ccc(N2CCNCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.53
PARP1 P09874 8/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC3 O15379 2/20 0.52
KCNH2 Q12809 2/20 0.52
HDAC1 Q13547 2/20 0.49
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
HPGDS O60760 1/20 0.45

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
Hydrochloric Acid SCHEMBL29020773 0.99 PRKAA2 (0.53) PRKAA2PARP1HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL29020742 0.94 PRKAA2 (0.51) PRKAA2PARP1HDAC2HDAC3KCNH2
SCHEMBL29085161 0.94 PRKAA2 (0.51) PRKAA2PARP1HDAC2HDAC3KCNH2
SCHEMBL29085246 0.89 HDAC2 (0.49) PRKAA2PARP1HDAC2HDAC3KCNH2
SCHEMBL29085164 0.89 HDAC2 (0.49) PRKAA2PARP1HDAC2HDAC3KCNH2
SCHEMBL30064386 0.89 HDAC2 (0.49) PRKAA2PARP1HDAC2HDAC3KCNH2
SCHEMBL30604689 0.87 PARP1 (0.56) PRKAA2PARP1HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL29020721 0.86 HDAC2 (0.49) PRKAA2PARP1HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL30385167 0.83 HDAC3 (0.51) PRKAA2PARP1HDAC2HDAC3KCNH2
Hydrochloric Acid SCHEMBL29020748 0.83 HDAC3 (0.51) PRKAA2PARP1HDAC2HDAC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346573-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CHENGDU EASTON BIOPHARMACEUTICALS CO LTD (CN) 2025-11-13 US disclosed
WO-2025092973-A1 PARP1-TARGETING COMPOUND AND USE THEREOF 成都赜灵生物医药科技有限公司 2025-05-08 WO disclosed
EP-4534533-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2025-04-09 EP disclosed
WO-2025067417-A1 FUSED LACTAM RING COMPOUND AND USE THEREOF 成都赜灵生物医药科技有限公司 2025-04-03 WO disclosed
CN-117177972-A PARP1 inhibitors and uses thereof 新特拉有限公司 2023-12-05 CN disclosed
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 WO disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 US disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 US 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 (3 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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 PRKAA2 152/4885PARP1 1/4885HDAC2 255/4885
US-20250346573-A1 AZAQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 PRKAA2 1001/4885PARP1 1/4885HDAC2 482/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 PRKAA2 152/4885PARP1 1/4885HDAC2 255/4885

“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.