SCHEMBL24974311

SCHEMBL24974311

CCC(C)Cc1ccnc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.52
▸ LOX P28300 1/20 0.52
▸ LOXL3 P58215 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ GRM5 P41594 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA6 Q15825 1/20 0.35
▸ GHSR Q92847 1/20 0.34
▸ SMARCA2 P51531 3/20 0.34
▸ SMARCA4 P51532 2/20 0.34
▸ PNMT P11086 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MGMT P16455 1/20 0.32
▸ NR3C2 P08235 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
SCHEMBL10159790 0.83 RECQL (0.57) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL11818312 0.79 NOS3 (0.61) LOXLOXL2NOS3NOS1NOS2
SCHEMBL805501 0.77 — —
SCHEMBL1437084 0.76 LOXL2 (0.57) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL20103714 0.75 RECQL (0.51) RECQLLOXLOXL3LOXL2GRM5
Methylene Chloride SCHEMBL28291344 0.73 RECQL (0.59) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL4438687 0.73 RECQL (0.59) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL19976457 0.73 ALDH1A1 (0.44) CHRNB2
SCHEMBL30969437 0.73 RECQL (0.53) RECQLLOXLOXL3LOXL2GRM5
SCHEMBL8294943 0.72 CYP3A4 (0.44) LOXL2CHRNB2CHRNA6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 — — 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 (2 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RECQL 507/4885LOX 2774/4885LOXL3 3476/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP RECQL 507/4885LOX 2774/4885LOXL3 3476/4885

“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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