SCHEMBL24968325

SCHEMBL24968325

c1nc(N2CCNCC2)ncc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ USP2 O75604 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CASP1 P29466 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL24467769 0.95 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
SCHEMBL24467706 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL29208842 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
SCHEMBL26157259 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2TAAR1HRH3
SCHEMBL15000813 0.77 POLB (0.47) ALDH1A1KDM4ECYP1A2TSHRKMT2A
SCHEMBL2366781 0.76 HRH4 (0.47) HRH4HRH3KCNH2CYP1A2TSHR
SCHEMBL3668289 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
SCHEMBL24968950 0.76 KMT2A (0.45) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
SCHEMBL24467776 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1
SCHEMBL27233827 0.74 SLC6A7 (0.56) ALDH1A1KDM4EUSP2SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 — — US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 — — EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 — — CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — 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 (1 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 ALDH1A1 549/4885KDM4E 1289/4885USP2 3334/4885

“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.

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