SCHEMBL14875550

SCHEMBL14875550

CCOC(=O)c1scc(C2CCN(C(=O)OC(C)(C)C)CC2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ EED O75530 1/20 0.45
▸ RBBP4 Q09028 1/20 0.45
▸ SUZ12 Q15022 1/20 0.45
▸ EZH2 Q15910 1/20 0.45
▸ AEBP2 Q6ZN18 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ADORA1 P30542 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
SCHEMBL27308580 0.87 ADORA1 (0.53) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL14875387 0.79 NPSR1 (0.46) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL3718093 0.77 TP53 (0.51) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL3718737 0.75 ALDH1A1 (0.52) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL419527 0.75 GPR119 (0.49) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL27153493 0.75 ALDH1A1 (0.49) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL27154594 0.74 NPSR1 (0.50) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL15376821 0.73 ALDH1A1 (0.52) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL3170315 0.73 ALDH1A1 (0.50) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL27096890 0.73 ALDH1A1 (0.50) ALDH1A1GAALMNAMEN1KMT2A

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 ALDH1A1 3659/4885GAA 2239/4885LMNA 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.

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