SCHEMBL17950141

SCHEMBL17950141

CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc[nH]2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
EPHX2 P34913 1/20 0.42
BTK Q06187 4/20 0.42
JAK1 P23458 5/20 0.41
JAK2 O60674 2/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.36
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL25517160 0.93 BTK (0.51) GAAEPHX2BTKJAK1JAK2
SCHEMBL30772750 0.90 JAK1 (0.49) GAAEPHX2BTKJAK1JAK2
SCHEMBL17942105 0.78 EPHX2 (0.45) GAAEPHX2BTKJAK1JAK2
SCHEMBL17942077 0.78 EPHX2 (0.45) GAAEPHX2BTKJAK1JAK2
SCHEMBL17942057 0.78
SCHEMBL21211467 0.73 GAA (0.44) GAAEPHX2BTKJAK1JAK2
SCHEMBL18263497 0.73 PARP1 (0.54) JAK1JAK2TYK2JAK3KMT2A
SCHEMBL28815568 0.72 THRB (0.56) GAAJAK1JAK2TYK2JAK3
SCHEMBL22961412 0.70 BTK (0.54) GAAEPHX2BTKJAK1JAK2
SCHEMBL20099498 0.70 BTK (0.53) GAAEPHX2BTKKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 WO 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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT GAA 3281/4885EPHX2 3492/4885BTK 836/4885

“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.