SCHEMBL2164484

SCHEMBL2164484

C#Cc1cnc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRA6 Q16445 3/20 0.43
PIK3CD O00329 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
MTOR P42345 2/20 0.40
PIK3CG P48736 2/20 0.40
EPHB4 P54760 2/20 0.40
PRKDC P78527 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
GABRA3 P34903 2/20 0.38

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
SCHEMBL13262981 0.88 IRAK4 (0.44) IRAK4
SCHEMBL29056335 0.84 GABRA5 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL24450111 0.82 PIK3CA (0.40) GABRG2GABRB3GABRA5PIK3CDABL1
SCHEMBL30992116 0.81 ENPP3 (0.50) GABRG2GABRB3GABRA5PIK3CDABL1
SCHEMBL22130298 0.81 KDR (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL18263905 0.81 PIK3CA (0.39) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL13554542 0.81 ENPP3 (0.50) GABRG2GABRB3GABRA5PIK3CDABL1
SCHEMBL21292742 0.81 FGFR1 (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL484170 0.80 PARP1 (0.46) PARP1ENPP3ENPP1
SCHEMBL23347080 0.80 KDR (0.39) PIK3CDABL1EGFRHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640157-A METTL3 inhibitor and composition thereof and application of METTL3 inhibitor and composition thereof in medicine 海思科医药集团股份有限公司 2023-08-25 CN disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP 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-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
CN-102985411-A Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS 2013-03-20 CN disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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 (3 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 GABRA1 1102/4885GABRG2 1452/4885GABRB3 1189/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 GABRA1 1183/4885GABRG2 1286/4885GABRB3 897/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 GABRA1 1102/4885GABRG2 1452/4885GABRB3 1189/4885

“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.