SCHEMBL503430

SCHEMBL503430

C1CNC2(C1)CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NEK2 P51955 1/20 0.30

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
SCHEMBL16878196 0.97 CXCR4 (0.35) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL1792036 0.92 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16878055 0.92 CXCR4 (0.35) CXCR4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL21360053 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16877626 0.89 CXCR4 (0.40) CXCR4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL16195650 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16877555 0.86 CXCR4 (0.42) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL14759970 0.86 CXCR4 (0.35) CXCR4SMN1; SMN2
SCHEMBL932275 0.86 CXCR4 (0.35) CXCR4SMN1; SMN2
SCHEMBL16878194 0.85 CXCR4 (0.39) CXCR4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 US claimed
EP-4646263-A1 SPRK1 INHIBITORS AND METHODS OF USE Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-11-12 EP claimed
EP-4590672-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-07-30 EP claimed
WO-2025111409-A1 HETEROCYCLIC COMPOUNDS OF FORMULA (I) FOR USE IN THE TREATMENT OF SPINAL MUSCULAR ATROPHY VIA MODULATION OF SMN2 SPLICING BIOGEN MA INC. (US) 2025-05-30 WO claimed
CN-119866329-A Heterocyclic compounds for the treatment of huntington's disease 渤健马萨诸塞州股份有限公司 2025-04-22 CN claimed
EP-4526292-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE Biogen MA Inc. (US) 2025-03-26 EP claimed
WO-2024155864-A1 SPRK1 INHIBITORS AND METHODS OF USE ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2024-07-25 WO claimed
US-20240124451-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-04-18 US claimed
WO-2024064245-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-03-28 WO claimed
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 WO claimed
US-20200291029-A1 CARBAPENEM COMPOUNDS MERCK SHARP & DOHME CORP. 2020-09-17 US claimed
EP-3430013-A1 CARBAPENEM COMPOUNDS Orchid Pharma Limited (IN) 2019-01-23 EP claimed
WO-2017158616-A1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD. (IN) 2017-09-21 WO claimed
EP-2528910-B1 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP claimed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US claimed
US-8618111-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-31 US claimed
EP-2528910-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP claimed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US claimed
WO-2011092197-A1 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO claimed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP claimed

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-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 CXCR4 662/4885SMN1; SMN2 529/4885ALDH1A1 79/4885
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 CXCR4 4426/4885SMN1; SMN2 18/4885ALDH1A1 2917/4885
US-20240124451-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NLRP3, FABP3, NOD2 CXCR4 2230/4885SMN1; SMN2 3088/4885ALDH1A1 4488/4885
US-20200291029-A1 CARBAPENEM COMPOUNDS GSK3B, GSK3A, GNE CXCR4 988/4885SMN1; SMN2 1076/4885ALDH1A1 3320/4885

“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.