SCHEMBL30658431

SCHEMBL30658431

CN[C@@H](C)CNc1cnc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PCSK9 Q8NBP7 2/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ HCRTR1 O43613 9/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HCAR3 P49019 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL19203405 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL19203407 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL20702038 0.87 HCAR3 (0.43) KDM4EALDH1A1SMN1; SMN2PCSK9HCRTR1
SCHEMBL19477571 0.85 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL30361735 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL28378737 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL28378739 0.84 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL20715568 0.80 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL12690881 0.74 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2PCSK9HCAR3
SCHEMBL13663255 0.74 TRPV4 (0.39) KDM4EBCDIN3DHCRTR1HCAR3

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-11753398-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2023-09-12 — — US claimed
US-20260085060-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LTD (GB) 2026-03-26 — — US disclosed
US-12441709-B2 Therapeutic compounds INDIVIOR UK LIMITED (GB) 2025-10-14 — — US disclosed
US-20240076282-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LIMITED (GB) 2024-03-07 — — US disclosed
US-11753398-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2023-09-12 — — US 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-11753398-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R KDM4E 2777/4885ALDH1A1 1070/4885SMN1; SMN2 1337/4885
US-20240076282-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R KDM4E 2777/4885ALDH1A1 1070/4885SMN1; SMN2 1337/4885
US-12441709-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R KDM4E 2777/4885ALDH1A1 1070/4885SMN1; SMN2 1337/4885
US-20260085060-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R KDM4E 2094/4885ALDH1A1 3977/4885SMN1; SMN2 2302/4885

“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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