SCHEMBL4132863

SCHEMBL4132863

CCn1cc2cc(-c3nsc(N)c3Br)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PI4KA P42356 2/20 0.36
PIK3CG P48736 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 5/20 0.32
GRM1 Q13255 4/20 0.32
KDM1A O60341 1/20 0.31
SLC5A2 P31639 1/20 0.31
PIP5K1C O60331 1/20 0.31
RECQL P46063 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL906671 0.84 GRM5 (0.41) GRM5GRM1
SCHEMBL4132855 0.83 GRM5 (0.36) GRM5GRM1
SCHEMBL1637883 0.74 GRM5 (0.57) GRM5GRM1
SCHEMBL1637329 0.71 HDAC8 (0.39) TSHRSLC5A2
SCHEMBL188317 0.71 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL906668 0.67 GRM5 (0.46) GRM5GRM1
SCHEMBL24930547 0.66 CYP1A2 (0.41) SLC5A2
SCHEMBL23511149 0.66 PIK3CG (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL23498018 0.66 HDAC6 (0.36) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL904601 0.66 SLC5A2 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY 2009-10-08 US disclosed
WO-2009123855-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES ELI LILLY AND COMPANY (US) 2009-10-08 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-20090253750-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES CYP3A4, IPO4, JAK3 PIK3CD 488/4885PIK3CA 498/4885PIK3CB 482/4885

“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.