SCHEMBL4889553

SCHEMBL4889553

O=C(Nc1ccc(O)cc1)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.49
PIN1 Q13526 1/20 0.47
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ROCK1 Q13464 1/20 0.44
TNIK Q9UKE5 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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 0.86 CLK1 (0.53) PIN1CLK1DYRK1ADYRK1BMMP2
SCHEMBL4889168 0.86 DEGS1 (0.46) DEGS1PIN1CLK1DYRK1ADYRK1B
SCHEMBL4899110 0.78 HDAC1 (0.44) PIN1HDAC1
SCHEMBL4894537 0.76 MEN1 (0.49) PIN1CLK1DYRK1ADYRK1BMMP2
SCHEMBL4896946 0.72 SRC (0.57) PIN1ROCK1MMP13
SCHEMBL20284045 0.71 DEGS1 (0.86) DEGS1MIFNQO2SNCA
SCHEMBL20764247 0.71 ACR (0.74) ACRSNCAHDAC1
SCHEMBL23833381 0.71 PIN1 (0.52) PIN1ROCK1MMP2MMP9MMP8
SCHEMBL22307350 0.71 PIN1 (0.60) DEGS1PIN1
SCHEMBL6885895 0.71 PTPN1 (0.64) HPSE

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 DEGS1 1536/4885PIN1 3200/4885CLK1 258/4885

“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.