SCHEMBL4894059

SCHEMBL4894059

O=C(Nc1cccc(O)c1)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK2 Q92630 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
AURKA O14965 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
SRC P12931 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4894537 0.91 MEN1 (0.49) CLK1DYRK1ADYRK2DYRK1BMEN1
SCHEMBL4889168 0.87 DEGS1 (0.46) CLK1DYRK1ADYRK2DYRK1BMEN1
SCHEMBL4889553 0.86 DEGS1 (0.49) CLK1DYRK1ADYRK1BPIN1MMP2
SCHEMBL4896946 0.79 SRC (0.57) PIN1SRCESRRG
SCHEMBL24628731 0.76 NPC1 (0.71) CLK1DYRK1ADYRK2DYRK1BMEN1
SCHEMBL3065306 0.76 NR1H4 (0.56) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL4899116 0.74 SRC (0.48) PIN1SRC
SCHEMBL3656361 0.74 NPC1 (0.78) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL4899110 0.72 HDAC1 (0.44) LMNAPIN1SRCESRRG
SCHEMBL4886692 0.72 SRC (0.51) MEN1KMT2ATP53LMNAALDH1A1

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-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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 (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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 CLK1 258/4885DYRK1A 585/4885DYRK2 449/4885

“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.