SCHEMBL25839454

SCHEMBL25839454

CSCCC(=O)N1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.53
▸ MAPT P10636 13/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PANK3 Q9H999 4/20 0.49
▸ TP53 P04637 5/20 0.48
▸ ALDH1A1 P00352 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
SCHEMBL23544867 0.85 MAPT (0.50) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL14923989 0.81 AKR1C3 (0.64) FKBP1AMAPTSMN1; SMN2MAPK1GAA
SCHEMBL23544870 0.80 KDM4E (0.56) MAPTSMN1; SMN2RAB9AMAPK1GAA
SCHEMBL23544893 0.80 MAPT (0.54) FKBP1AMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL12187957 0.79 MAPT (0.61) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL23544887 0.79 MAPT (0.48) FKBP1AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL20884943 0.78 SMN1; SMN2 (0.55) FKBP1AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23544874 0.78 MAPT (0.64) FKBP1AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14923975 0.78 SMN1; SMN2 (0.52) FKBP1AMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL18591875 0.77 MAPT (0.49) FKBP1AMAPTSMN1; SMN2KMT2ANPC1

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 — — US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 — — 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 (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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 FKBP1A 2867/4885MAPT 3409/4885SMN1; SMN2 3707/4885

“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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