Sugi Predict

Sugi Predict / Compounds / SCHEMBL416164

SCHEMBL416164

SCHEMBL416164

Clc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.70
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CLPP Q16740 9/20 0.52
▸ PNMT P11086 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ADORA2A P29274 1/20 0.48

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 SCHEMBL4316740 0.99 C5AR1 (0.69) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL1831603 0.90 C5AR1 (0.61) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL1831804 0.89 C5AR1 (0.60) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL31095294 0.89 C5AR1 (0.60) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL14660583 0.88 C5AR1 (0.56) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL1832111 0.87 C5AR1 (0.53) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL23413091 0.86 C5AR1 (0.67) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL16260722 0.86 C5AR1 (0.71) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL29888597 0.86 C5AR1 (0.67) C5AR1KMT2AMEN1GAAKDM4E
SCHEMBL116582 0.86 KMT2A (0.64) C5AR1KMT2AMEN1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042862-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-06 — — US disclosed
CN-115348959-B Heteroaryl compounds and their therapeutic use in conditions associated with altered beta-glucocerebrosidase activity GT增益治疗股份有限公司 2025-01-07 — — CN disclosed
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 — — CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 — — US disclosed
US-20240308992-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Biopolar Youtang(Guangdong) Pharmaceutical Co., Ltd. (CN) 2024-09-19 — — US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 — — CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 — — US disclosed
CN-113135924-B Pyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-04-26 — — CN disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 — — US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 — — US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 — — US disclosed
WO-2011062253-A1 NOVEL FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-26 — — WO disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 — — EP disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — WO disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 — — US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 — — WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 — — WO disclosed
EP-1552842-A1 BICYCLIC PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-07-13 — — 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 (7 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-20250042862-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF KDM1B, KDM1A, KDM3B C5AR1 4234/4885KMT2A 38/4885MEN1 2563/4885
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A C5AR1 4387/4885KMT2A 1391/4885MEN1 4681/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A C5AR1 4827/4885KMT2A 906/4885MEN1 2350/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A C5AR1 4827/4885KMT2A 906/4885MEN1 2350/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK C5AR1 4149/4885KMT2A 4093/4885MEN1 3236/4885
US-20240308992-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF VRK2, MAPKAPK2, DAPK2 C5AR1 4138/4885KMT2A 2172/4885MEN1 2096/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK C5AR1 4149/4885KMT2A 4093/4885MEN1 3236/4885

“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.