SCHEMBL25839451

SCHEMBL25839451

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 5/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
POLB P06746 1/20 0.53
PANK3 Q9H999 5/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 3/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 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
SCHEMBL14923989 0.85 AKR1C3 (0.64) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL23544870 0.84 KDM4E (0.56) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL23544868 0.83 NOTUM (0.50) MAPTSMN1; SMN2LMNAMAPK1GAA
SCHEMBL23544874 0.81 MAPT (0.64) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL20884943 0.81 SMN1; SMN2 (0.55) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL14923975 0.81 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL17306132 0.80 PANK3 (0.56) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL20884954 0.80 AKR1C3 (0.58) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL10169298 0.80 MAPT (0.71) MAPTSMN1; SMN2LMNAMAPK1HTT
SCHEMBL10288811 0.80 PANK3 (0.58) MAPTSMN1; SMN2LMNAMAPK1HTT

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 1 patent. 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

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 MAPT 3409/4885SMN1; SMN2 3707/4885LMNA 4833/4885

“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.