Sugi Predict

Sugi Predict / Compounds / SCHEMBL877668

SCHEMBL877668

SCHEMBL877668

O=c1nccc2c3ccccc3ccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ PRKDC P78527 5/20 0.39
▸ COMT P21964 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL30050610 1.00 IDO1 (0.41) IDO1PARP1PRKDCCOMTMAPT
SCHEMBL5658467 0.73 PRKDC (0.42) IDO1PARP1PRKDCMAPTNPC1
SCHEMBL29672392 0.73 PRKDC (0.42) IDO1PARP1PRKDCMAPTNPC1
SCHEMBL3603419 0.72 PRKDC (0.52) PARP1PRKDCCOMTMAPTNPC1
Hydrochloric Acid SCHEMBL5122442 0.71 PRKDC (0.51) PARP1PRKDCCOMTMAPTNPC1
SCHEMBL30140376 0.69 IDO1 (0.53) IDO1PARP1PRKDCMAPTNPC1
SCHEMBL1652391 0.69 IDO1 (0.53) IDO1PARP1PRKDCMAPTNPC1
SCHEMBL15829323 0.69 PARP1 (0.50) PARP1PRKDCMAPTNPC1ALDH1A1
SCHEMBL23466996 0.68 IDO1 (0.47) IDO1COMTMAPTNPC1ALDH1A1
SCHEMBL29768319 0.68 IDO1 (0.47) IDO1COMTMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935262-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) Galapagos NV (BE) 2015-10-28 — — EP claimed
WO-2014095798-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) GALAPAGOS NV (BE) 2014-06-26 — — WO claimed
EP-0370379-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING LABDANE DITERPENOID DERIVATIVES AND PYRIMIDO(6,1-A) ISOQUINOLIN-4-ONE DERIVATIVES AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-09 — — EP claimed
US-5141942-A Topical administration for promoting hair growth HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-25 — — US claimed
EP-0370379-A1 Pharmaceutical compositions comprising labdane diterpenoid derivatives and pyrimido(6,1-a) isoquinolin-4-one derivatives and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP claimed
JP-2017119-A — — None — — JP disclosed
JP-2188517-A — — None — — JP disclosed
WO-2025223528-A1 PYRIMIDO[6,1-A]ISOQUINOLIN-4-ONE DERIVATIVE 苏州君健一方生物医药有限公司 2025-10-30 — — WO disclosed
US-12251384-B1 Particulate composition VERONA PHARMA PLC (GB) 2025-03-18 — — US disclosed
US-20250064815-A1 PARTICULATE COMPOSITION VERONA PHARMA PLC (GB) 2025-02-27 — — US disclosed
US-12194045-B1 Particulate composition VERONA PHARMA PLC (GB) 2025-01-14 — — US disclosed
US-20250000866-A1 PARTICULATE COMPOSITION VERONA PHARMA LIMITED (GB) 2025-01-02 — — US disclosed
US-4482556-A HYPOTENSIVE AGENTS, BRONCHODILATORS, ANTIALLERGENS HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-13 — — US disclosed
US-4454319-A Pyrimido[6,1-a]isoguinoline-4-one derivatives MCNEILAB, INC. (US) 1984-06-12 — — US disclosed
US-4454319-A Pyrimido[6,1-a]isoguinoline-4-one derivatives MCNEILAB, INC. (US) 1984-06-12 — — US disclosed
US-4400506-A CYCLIZATION OF A BARBITURIC ACID USING AN ACID CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-23 — — US disclosed
US-4400506-A CYCLIZATION OF A BARBITURIC ACID USING AN ACID CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-23 — — US disclosed
EP-0010759-A2 Pyrimido (6,1-a) isoquinolin-4-ones, process for their preparation and their application in medicaments; intermediates and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 — — EP disclosed
EP-0010759-A2 Pyrimido (6,1-a) isoquinolin-4-ones, process for their preparation and their application in medicaments; intermediates and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 — — EP disclosed
EP-0010759-A2 Pyrimido (6,1-a) isoquinolin-4-ones, process for their preparation and their application in medicaments; intermediates and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 — — 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 (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-12251384-B1 Particulate composition INMT, PNMT, HTR7 IDO1 18/4885PARP1 2034/4885PRKDC 3785/4885
US-20250000866-A1 PARTICULATE COMPOSITION INMT, PNMT, HTR7 IDO1 18/4885PARP1 2034/4885PRKDC 3785/4885
US-12194045-B1 Particulate composition INMT, PNMT, HTR7 IDO1 18/4885PARP1 2034/4885PRKDC 3785/4885
US-20250064815-A1 PARTICULATE COMPOSITION INMT, PNMT, HTR7 IDO1 18/4885PARP1 2034/4885PRKDC 3785/4885

“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.