Sugi Predict

Sugi Predict / Compounds / SCHEMBL21589017

SCHEMBL21589017

SCHEMBL21589017

Clc1ccc2c(I)c[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ ADORA1 P30542 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ GRIN2D O15399 1/20 0.33

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
SCHEMBL21273862 0.76 AXL (0.48) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL29659275 0.76 ADORA2A (0.40) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL31006537 0.76 ADORA2A (0.50) ADORA2AADORA1KDM4E
SCHEMBL20354739 0.76 ADORA2A (0.40) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL20455615 0.76 ADORA2A (0.40) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL8357695 0.76 ADORA2A (0.50) ADORA2AADORA1KDM4E
SCHEMBL21589019 0.76 ADORA2A (0.40) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL7017267 0.73 ADORA2A (0.39) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL29513945 0.72 KDM4E (0.38) ADORA2ASIRT2ADORA1KDM4EGMNN
SCHEMBL15796569 0.72 KDM4E (0.38) ADORA2ASIRT2ADORA1KDM4EGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-04-30 — — US disclosed
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof RECURSION PHARMACEUTICALS, INC. (US) 2026-02-03 — — US disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 — — US disclosed
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES INC 2025-03-27 — — US disclosed
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 — — CN disclosed
EP-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 — — EP disclosed
US-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-25 — — US disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 — — EP disclosed
CN-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司（香港） 2023-08-29 — — CN disclosed
CN-116082337-B Alkynyl-substituted heterocyclic compounds, process for their preparation and their use in medicine 英矽智能科技(上海)有限公司 2023-06-23 — — CN disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
CN-116082337-A Alkynyl-substituted heterocyclic compounds, process for their preparation and their use in medicine 英矽智能科技(上海)有限公司 2023-05-09 — — CN disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司（香港） 2022-06-30 — — WO disclosed
CN-110577524-B Kinase selective inhibitor 北京大学深圳研究生院 2022-01-28 — — CN disclosed
CN-110577524-A Kinase selective inhibitor 北京大学深圳研究生院 2019-12-17 — — CN disclosed
WO-2019233438-A1 KINASE SELECTIVE INHIBITOR 北京大学深圳研究生院 (CN) 2019-12-12 — — 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 (5 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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 ADORA2A 3273/4885CHEK1 293/4885SIRT2 1592/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ADORA2A 3729/4885CHEK1 3352/4885SIRT2 3857/4885
US-20250099442-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS DYRK2, DYRK1A, DYRK1B ADORA2A 814/4885CHEK1 1221/4885SIRT2 3723/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 ADORA2A 2243/4885CHEK1 133/4885SIRT2 1226/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 ADORA2A 3052/4885CHEK1 398/4885SIRT2 1588/4885

“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.