SCHEMBL14875387

SCHEMBL14875387

CCOC(=O)c1[nH]cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL14875390 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMEN1GAAKMT2A
SCHEMBL27154594 0.83 NPSR1 (0.50) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL14875550 0.79 ALDH1A1 (0.46) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL27308580 0.78 ADORA1 (0.53) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL27153493 0.75 ALDH1A1 (0.49) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL17109829 0.74 KDM4E (0.49) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL17109828 0.74 KDM4E (0.49) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL3718737 0.73 ALDH1A1 (0.52) NPSR1ALDH1A1LMNAMEN1GAA
SCHEMBL6212815 0.73 HTR1D (0.62) NPSR1ALDH1A1MAPTKDM4ETHRB
SCHEMBL8040438 0.73 NAMPT (0.54) NPSR1ALDH1A1LMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765771-B2 Condensed pyridine or condensed pyrimidine derivative, and medicinal agent comprising same KOWA CO., LTD. (JP) 2014-07-01 — — US disclosed
US-20130102621-A1 NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME KOWA CO., LTD. (JP) 2013-04-25 — — 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-20130102621-A1 NOVEL CONDENSED PYRIDINE OR CONDENSED PYRIMIDINE DERIVATIVE, AND MEDICINAL AGENT COMPRISING SAME IAPP, GPR119, RNASE1 NPSR1 1639/4885ALDH1A1 3659/4885LMNA 4338/4885

“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.

Send feedback