SCHEMBL12869690

SCHEMBL12869690

COC(=O)c1cc(Br)c2cc[nH]c2c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.47
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 2/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR4A2 P43354 9/20 0.43
CHEK1 O14757 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 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
SCHEMBL16899550 0.85 PIM3 (0.47) PIM3PIM1TTBK1TTBK2NR4A2
SCHEMBL12566368 0.80 TTBK1 (0.47) PIM3PIM1KDM4ETTBK1TTBK2
SCHEMBL23305292 0.78 PIM3 (0.52) PIM3PIM1TTBK1TTBK2NPSR1
SCHEMBL22533734 0.78 ACHE (0.49) PIM3PIM1KDM4EALDH1A1HPGD
SCHEMBL2131809 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1SIGMAR1
SCHEMBL31480354 0.77 PIM3 (0.50) PIM3PIM1KDM4ETTBK1TTBK2
SCHEMBL22587514 0.77 PIM3 (0.50) PIM3PIM1KDM4ETTBK1TTBK2
SCHEMBL29023074 0.75 TSHR (0.45) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL30052019 0.75 TSHR (0.45) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL24787455 0.75 PIM3 (0.40) PIM3PIM1TTBK1TTBK2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260180-B Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-05-28 CN disclosed
CN-115260180-A Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A PIM3 2806/4885PIM1 1732/4885KDM4E 3117/4885
US-20080119490-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A PIM3 2878/4885PIM1 1781/4885KDM4E 3784/4885

“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.