SCHEMBL4894537

SCHEMBL4894537

O=C(Nc1cccc(O)c1)c1cnc(-c2cccc(O)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PIN1 Q13526 1/20 0.46
PRKDC P78527 1/20 0.46
ATR Q13535 1/20 0.46
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL4894059 0.91 CLK1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL4889168 0.91 DEGS1 (0.46) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL4897239 0.79 SRC (0.55) MAPTLMNAPOLBPIN1MMP13
SCHEMBL4899116 0.78 SRC (0.48) PIN1
SCHEMBL3065306 0.77 NR1H4 (0.56) KMT2ANPC1RAB9AMAPK1MAPT
SCHEMBL4889553 0.76 DEGS1 (0.49) CLK1DYRK1ADYRK1BPIN1MMP2
SCHEMBL4888626 0.74 MAOB (0.50) TP53MAPK1MAPTMMP13
SCHEMBL4891551 0.72 SRC (0.50) MAPTLMNATHRBMMP13CNR1
SCHEMBL4895983 0.72 SRC (0.50) NPC1MAPK1LMNAPOLBMMP13
SCHEMBL22307350 0.71 PIN1 (0.60) MEN1KMT2ANPC1RAB9APIN1

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 MEN1 3037/4885KMT2A 3107/4885NPC1 4026/4885

“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.