SCHEMBL13250035

SCHEMBL13250035

CCOC(=O)N1CCc2nc(C)n(C(c3ccccc3)c3ccccc3)c(=O)c2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL13328898 0.93 TSHR (0.45) TSHRGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13249786 0.93 TSHR (0.45) TSHRGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13250063 0.88 PARP1 (0.40) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13249798 0.87 PPARG (0.41) TSHRGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13328901 0.87 PPARG (0.41) TSHRGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13249799 0.86 TP53 (0.40) TSHRGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13328904 0.86 MTHFD2 (0.39) TSHRGAASMN1; SMN2L3MBTL1LMNA
SCHEMBL13249802 0.85 KDR (0.45) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL13249789 0.85 PPARG (0.42) TSHRGAAALDH1A1LMNATP53
SCHEMBL13328906 0.85 PPARG (0.42) TSHRGAASMN1; SMN2

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 TSHR 1056/4885GAA 1215/4885SMN1; SMN2 2980/4885

“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.