SCHEMBL18459010

SCHEMBL18459010

C=N/C(=C\C(=C/C)C(=O)O)Cc1ccc2ncc(N3CCOCC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.48
AKR1C3 P42330 1/20 0.42
KLKB1 P03952 4/20 0.41
MAP4K1 Q92918 4/20 0.41
TNIK Q9UKE5 1/20 0.40
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 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
SCHEMBL18697222 0.80 KLKB1 (0.38) KLKB1MAP4K1
SCHEMBL18697152 0.77 HPGDS (0.33) KLKB1
SCHEMBL12470838 0.76 MAPT (0.54) METAKR1C3KLKB1MAP4K1TNIK
SCHEMBL27948373 0.72 MET (0.51) METAKR1C3KLKB1MAP4K1TNIK
SCHEMBL18371396 0.69 KLKB1 (0.67) METAKR1C3KLKB1MAP4K1TNIK
SCHEMBL4215471 0.68 KMO (0.55) METAKR1C3FGFR2FGFR3PDE3B
SCHEMBL28816284 0.67 TNIK (0.61) METAKR1C3TNIKFGFR2FGFR3
SCHEMBL14783511 0.67 AKR1C3 (0.54) METAKR1C3TNIKFGFR2FGFR3
SCHEMBL17460814 0.67 TNIK (0.53) METAKR1C3TNIKFGFR2FGFR3
SCHEMBL18371384 0.66 KLKB1 (0.65) METKLKB1MAP4K1FGFR2FGFR3

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-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 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-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 MET 4844/4885AKR1C3 161/4885KLKB1 1/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 MET 4844/4885AKR1C3 161/4885KLKB1 1/4885

“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.