SCHEMBL19701980

SCHEMBL19701980

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PANK3 Q9H999 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NOTUM Q6P988 1/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP3A4 P08684 3/20 0.52
USP2 O75604 2/20 0.52
MAPK1 P28482 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
ADAM10 O14672 1/20 0.49
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
GFER P55789 1/20 0.47
PDK2 Q15119 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL22792606 0.85 GPR119 (0.57) MAPTPANK3L3MBTL1ALDH1A1NOTUM
SCHEMBL19701977 0.84 NOTUM (0.56) MAPTSMN1; SMN2PANK3L3MBTL1KMT2A
SCHEMBL19701982 0.83 NOTUM (0.54) MAPTSMN1; SMN2PANK3ALDH1A1NOTUM
SCHEMBL25839495 0.83 POLB (0.63) MAPTSMN1; SMN2PANK3KMT2AALDH1A1
SCHEMBL25839469 0.82 L3MBTL1 (0.68) MAPTSMN1; SMN2PANK3L3MBTL1KMT2A
SCHEMBL23544851 0.82 NOTUM (0.53) MAPTSMN1; SMN2PANK3ALDH1A1NOTUM
SCHEMBL16019525 0.82 NOTUM (0.56) MAPTSMN1; SMN2PANK3L3MBTL1ALDH1A1
SCHEMBL22054785 0.81 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL8603582 0.81 MAPT (0.61) MAPTSMN1; SMN2L3MBTL1KMT2AALDH1A1
SCHEMBL19701971 0.80 PIK3CD (0.42) PANK3KMT2AALDH1A1NOTUMHSD17B10

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-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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 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 (3 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 MAPT 4565/4885SMN1; SMN2 4355/4885PANK3 131/4885
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPT 3409/4885SMN1; SMN2 3707/4885PANK3 105/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MAPT 3409/4885SMN1; SMN2 3707/4885PANK3 105/4885

“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.