SCHEMBL6286561

SCHEMBL6286561

C[C@@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@](C)(N)c3ccncc3)cc2)c2ccc(NC(=O)[C@@](C)(N)c3ccncc3)cc2)cc1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
RAF1 P04049 1/20 0.40
GAA P10253 1/20 0.39
MDM2 Q00987 1/20 0.39
FFAR2 O15552 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL7035591 0.85 L3MBTL1 (0.47) L3MBTL1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6290287 0.77 KDM4E (0.45) L3MBTL1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6286636 0.70 L3MBTL1 (0.43) L3MBTL1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL334744 0.69 L3MBTL1 (0.72) L3MBTL1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL28365470 0.69 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL1849484 0.69 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL28365468 0.69 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL6288079 0.69 CA1 (0.43) L3MBTL1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11180415 0.67 L3MBTL1 (0.68) L3MBTL1AAK1LMNAHTTKDM4E
SCHEMBL6290638 0.67 L3MBTL1 (0.40) L3MBTL1HPGDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK ROCK2 1985/4885ROCK1 1418/4885L3MBTL1 1806/4885

“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.