SCHEMBL16005249

SCHEMBL16005249

c1ncc(-c2ccc3ocnc3c2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
GAA P10253 2/20 0.49
NOTUM Q6P988 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAP4K4 O95819 1/20 0.47
PTK2 Q05397 1/20 0.47
KEAP1 Q14145 1/20 0.45
AAK1 Q2M2I8 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PIK3CD O00329 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDK2 Q15119 1/20 0.39
WNT1 P04628 1/20 0.39

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
SCHEMBL28048555 0.81 DYRK1A (0.72) DYRK1AGAAMEN1KMT2APIK3CD
SCHEMBL10768177 0.74 PKM (0.78) CYP11B1CYP11B2GAANOTUMLMNA
SCHEMBL26260196 0.74 CYP11B1 (0.85) DYRK1ACYP11B1CYP11B2GAANOTUM
SCHEMBL28847991 0.73 DYRK1A (0.54) DYRK1ACYP11B1CYP11B2LMNAMEN1
SCHEMBL29375136 0.73 DYRK1A (0.62) DYRK1AGAAMEN1KMT2AMAP4K4
SCHEMBL592989 0.73 DYRK1A (0.62) DYRK1AGAAMEN1KMT2AMAP4K4
SCHEMBL2462935 0.72 DYRK1A (0.49) DYRK1ACYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL29458797 0.72 CYP11B1 (0.47) CYP11B1CYP11B2GAANOTUMLMNA
SCHEMBL26260219 0.72 CYP11B1 (0.82) DYRK1ACYP11B1CYP11B2GAANOTUM
SCHEMBL10337032 0.71 DYRK1A (0.60) DYRK1AGAANOTUMLMNAPKM

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
EP-2774923-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE UNIV NAGOYA NAT UNIV CORP (JP) 2016-05-18 EP disclosed
US-8993777-B2 Method for producing phenyl-substituted heterocyclic derivative NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-03-31 US disclosed
US-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-18 US disclosed
EP-2774923-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE National University Corporation Nagoya University (JP) 2014-09-10 EP 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-20140275549-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE PAH, DDT, NISCH DYRK1A 4118/4885CYP11B1 363/4885CYP11B2 159/4885

“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.