SCHEMBL3310971

SCHEMBL3310971

COc1ccc(-c2nc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)sc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.56
TBK1 Q9UHD2 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 5/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 3/20 0.51
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALOX12 P18054 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC2 Q92769 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
PGK1 P00558 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL2357114 0.93 TBK1 (0.56) ADORA3TBK1SMN1; SMN2MAPTLMNA
SCHEMBL2304013 0.91 TBK1 (0.55) ADORA3TBK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3310716 0.91 CKS1B (0.57) ADORA3TBK1LMNAKDM4EALDH1A1
SCHEMBL2300888 0.89 ADORA3 (0.62) ADORA3SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL3309812 0.85 TBK1 (0.52) ADORA3TBK1LMNAKDM4EALDH1A1
SCHEMBL2300926 0.84 ADORA3 (0.59) ADORA3TBK1SMN1; SMN2MAPTLMNA
SCHEMBL2355302 0.81 MAPT (0.55) ADORA3TBK1SMN1; SMN2MAPTLMNA
SCHEMBL2303642 0.81 ADORA3 (0.55) ADORA3SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2357113 0.81 CKS1B (0.57) ADORA3TBK1MAPTALDH1A1HPGD
SCHEMBL2301455 0.80 ADORA3 (0.51) ADORA3SMN1; SMN2MAPTLMNAKDM4E

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
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 ADORA3 1254/4885TBK1 3789/4885SMN1; SMN2 4749/4885

“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.