Sugi Predict

Sugi Predict / Compounds / SCHEMBL532079

SCHEMBL532079

SCHEMBL532079

CNC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ADRB1 P08588 5/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.51
▸ MAOB P27338 2/20 0.49
▸ HTR3E A5X5Y0 3/20 0.49
▸ HTR3B O95264 3/20 0.49
▸ HTR3A P46098 3/20 0.49
▸ HTR3D Q70Z44 3/20 0.49
▸ HTR3C Q8WXA8 3/20 0.49
▸ SIGMAR1 Q99720 3/20 0.49
▸ ACVR1 Q04771 2/20 0.48
▸ BMPR1B O00238 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47

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
Phenylpiperazine SCHEMBL3894076 0.89 ALDH1A1 (0.63) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL4140495 0.85 USP2 (0.55) ALDH1A1USP2TSHRHSD17B10HDAC6
SCHEMBL18553771 0.84 HTR6 (0.65) ALDH1A1USP2ITGB3ITGA2BKDM4E
SCHEMBL26398689 0.84 HDAC6 (0.71) ALDH1A1USP2TSHRHSD17B10HDAC6
SCHEMBL6125261 0.83 CTSK (0.56) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL531982 0.83 OPRD1 (0.59) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL24891825 0.82 RAB9A (0.64) ALDH1A1USP2TSHRHSD17B10HDAC6
SCHEMBL6263784 0.81 KAT6A (0.60) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL10153966 0.81 MAPT (0.64) ALDH1A1HDAC6HDAC2HDAC8LMNA
SCHEMBL15451906 0.81 HDAC3 (0.66) HDAC8LMNAMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP claimed
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES Mirati Therapeutics, Inc. (US) 2026-03-19 — — US disclosed
CN-116710433-A Selective PARP1 inhibitor and application thereof 成都百裕制药股份有限公司 2023-09-05 — — CN disclosed
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 — — US disclosed
WO-2023011596-A1 AMIDE COMPOUND AND USE THEREOF 中国药科大学 2023-02-09 — — WO disclosed
WO-2022222966-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2022-10-27 — — WO disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 — — EP disclosed
US-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2020-04-02 — — US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 — — US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 — — US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 — — US disclosed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — WO disclosed
WO-2011014681-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — 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 (4 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ALDH1A1 734/4885USP2 3026/4885TSHR 2082/4885
US-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors PARP1, PARP2, PARP3 ALDH1A1 1136/4885USP2 3023/4885TSHR 2966/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 ALDH1A1 1913/4885USP2 2223/4885TSHR 4575/4885
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES CBR1, CBR3, CNR1 ALDH1A1 628/4885USP2 4798/4885TSHR 450/4885

“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.