SCHEMBL19701977

SCHEMBL19701977

CC(=O)N1CCN(c2cccc(C(C)C)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
PANK3 Q9H999 1/20 0.54
CASP6 P55212 1/20 0.54
GFER P55789 1/20 0.54
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADAM10 O14672 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 2/20 0.49

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
SCHEMBL19701982 0.87 NOTUM (0.54) NOTUMPANK3MAPK1LMNATSHR
SCHEMBL23544851 0.85 NOTUM (0.53) NOTUMPANK3MAPK1LMNATSHR
SCHEMBL16019525 0.85 NOTUM (0.56) NOTUMPANK3GFERLMNATSHR
SCHEMBL19701980 0.84 MAPT (0.57) NOTUMPANK3GFERMAPK1LMNA
SCHEMBL19701983 0.83 LMNA (0.65) NOTUMMAPK1LMNATSHRMAPT
SCHEMBL24721101 0.83 NOTUM (0.61) NOTUMPANK3MAPK1MAPTTDP1
SCHEMBL23544868 0.82 NOTUM (0.50) NOTUMPANK3MAPK1LMNATSHR
SCHEMBL19702012 0.81 NOTUM (0.55) NOTUMPANK3MAPK1SMN1; SMN2ADAM10
SCHEMBL22792606 0.81 GPR119 (0.57) NOTUMPANK3MAPK1LMNAMAPT
SCHEMBL25839495 0.81 POLB (0.63) NOTUMPANK3MAPK1TSHRSMN1; SMN2

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 4 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
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 NOTUM 3221/4885PANK3 131/4885CASP6 1929/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 NOTUM 4710/4885PANK3 105/4885CASP6 1276/4885

“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.