SCHEMBL6204577

SCHEMBL6204577

COc1cccc(C(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
ROCK2 O75116 10/20 0.53
ROCK1 Q13464 8/20 0.53
PRKG1 Q13976 4/20 0.53
PRKACA P17612 3/20 0.53
GSK3A P49840 3/20 0.53
GSK3B P49841 3/20 0.53
PRKX P51817 3/20 0.53
PRKCQ Q04759 3/20 0.53
CYP3A4 P08684 2/20 0.53
CHEK1 O14757 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
RPS6KA5 O75582 1/20 0.53

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
SCHEMBL8225139 1.00 POLB (0.57) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6484180 1.00 POLB (0.57) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29586393 0.91 ROCK1 (0.49) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20738575 0.88 SMN1; SMN2 (0.49) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18765967 0.87 GPR139 (0.62) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30990952 0.87 GPR139 (0.62) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28360621 0.87 POLB (0.64) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18794448 0.86 GPR139 (0.60) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL851209 0.85 HTR1A (0.46) POLBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12937977 0.85 HTR1A (0.46) POLBMEN1KMT2ASMN1; SMN2LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
EP-3107900-B1 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SERVIER LAB (FR) 2017-11-15 EP disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 WO disclosed
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 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-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 POLB 3415/4885MEN1 1209/4885KMT2A 353/4885

“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.