SCHEMBL483767

SCHEMBL483767

COc1ccc2nc(I)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
CYP2C19 P33261 3/20 0.65
CYP3A4 P08684 2/20 0.65
PDK1 Q15118 1/20 0.63
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 1/20 0.56
APP P05067 5/20 0.55
HTT P42858 2/20 0.54
DYRK1A Q13627 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL2748547 0.86 NPC1 (0.54) CYP1A2CYP2C19CYP3A4PDK1RAB9A
Iodomethane SCHEMBL4054071 0.81 CYP1A2 (0.63) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL422166 0.80 CYP1A2 (0.67) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL299010 0.80 CYP1A2 (0.67) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL22358 0.79 CYP3A4 (1.00) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL29683488 0.79 CYP3A4 (1.00) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL5923359 0.79 CYP1A2 (0.65) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL7005131 0.79 CYP1A2 (0.65) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL144993 0.79 KMT2A (0.69) CYP1A2CYP2C19CYP3A4PDK1RAB9A
SCHEMBL15617124 0.78 NPC1 (0.68) CYP1A2CYP2C19CYP3A4PDK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction H. Lee Moffitt Cancer Center and Research Center Institute, Inc. (US) 2022-12-20 US disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 US disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
WO-2019191410-A1 INHIBITORS FOR THE Β-CATENIN / T-CELL FACTOR PROTEIN–PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-10-03 WO disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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 (5 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-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION CTNNBL1, CTNNB1, APC CYP1A2 4679/4885CYP2C19 4632/4885CYP3A4 3976/4885
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction CTNNB1, CTNNBL1, APC CYP1A2 4715/4885CYP2C19 4684/4885CYP3A4 4016/4885
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 CYP1A2 3175/4885CYP2C19 4252/4885CYP3A4 4271/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 CYP1A2 3777/4885CYP2C19 4562/4885CYP3A4 4408/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 CYP1A2 3175/4885CYP2C19 4252/4885CYP3A4 4271/4885

“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.