SCHEMBL2589245

SCHEMBL2589245

COC(=O)c1ccc(C)c2[nH]ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.60
PIM3 Q86V86 2/20 0.51
PIM1 P11309 1/20 0.51
NUDT1 P36639 1/20 0.42
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GOT1 P17174 1/20 0.40
MAPT P10636 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL7497434 0.88 PIM3 (0.55) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL12565533 0.87 NR4A2 (0.49) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL2588280 0.82 PIM3 (0.50) NR4A2PIM3PIM1CREBBPKDM4E
SCHEMBL22587514 0.82 PIM3 (0.50) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL6315440 0.82 NR4A2 (0.61) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL31480354 0.82 PIM3 (0.50) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL14774594 0.82 PIM3 (0.50) NR4A2PIM3PIM1NUDT1CREBBP
SCHEMBL2595142 0.81 AURKA (0.46) NR4A2BRPF1KDM4EGOT1P2RX7
SCHEMBL38662412 0.80 PIM3 (0.45) NR4A2PIM3PIM1CREBBPKDM4E
SCHEMBL16340090 0.79 PIM3 (0.50) NR4A2PIM3PIM1CREBBPKDM4E

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724052-B GPR101 protein receptor inhibitor and preparation and application thereof 南京艾美斐生物医药科技有限公司 2021-09-07 CN disclosed
CN-112724052-A GPR101 protein receptor inhibitor and preparation and application thereof 南京艾美斐生物医药科技有限公司 2021-04-30 CN disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
EP-2566327-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2017-03-29 EP disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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 (2 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-20130053397-A1 INDOLES IDO1, IDO2, INMT NR4A2 1964/4885PIM3 733/4885PIM1 590/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT NR4A2 2018/4885PIM3 847/4885PIM1 651/4885

“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.