SCHEMBL254249

SCHEMBL254249

O=S(=O)(c1ccccc1)n1cc(I)c2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.52
PDPK1 O15530 1/20 0.45
MET P08581 1/20 0.43
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
DYRK1A Q13627 1/20 0.40
PLK1 P53350 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
SCHEMBL30461713 0.86 HTR6 (0.51) HTR6
SCHEMBL25420439 0.86 HTR6 (0.51) HTR6
SCHEMBL13051118 0.83 HTR6 (0.52) HTR6PDPK1METLMNASMN1; SMN2
SCHEMBL5350219 0.82 HTR6 (0.64) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL30975059 0.75 HTR6 (0.61) HTR6
SCHEMBL30974768 0.74 HTR6 (0.59) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL2110801 0.74 HTR6 (0.49) HTR6BRD4LMNASMN1; SMN2HTR2A
SCHEMBL21805760 0.74 AKR1C3 (0.49) HTR6BRD4LMNASMN1; SMN2HTR2A
SCHEMBL29247367 0.74 HTR6 (0.59) HTR6LMNASMN1; SMN2HTR1ADRD2
SCHEMBL17097143 0.74 HTR6 (0.56) HTR6LMNASMN1; SMN2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
CN-105732617-A 7-azaindole derivatives 默克专利股份公司 2016-07-06 CN disclosed
CN-102958930-A 2,4- diaryl - substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH 2013-03-06 CN disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080262004-A1 Tgf-Beta Inhibitors ELI LILLY AND COMPANY (US) 2008-10-23 US disclosed
EP-1812450-A2 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2007-08-01 EP disclosed
WO-2006052568-A2 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-18 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 (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-20080262004-A1 Tgf-Beta Inhibitors TGFB1, TGFBR1, TGFB2 HTR6 3912/4885PDPK1 2667/4885MET 57/4885

“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.