SCHEMBL4132855

SCHEMBL4132855

CCn1cc2cc(-c3nsc(C(N)=O)c3Br)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.36
GRM1 Q13255 14/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RIPK2 O43353 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TGFBR1 P36897 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SRC P12931 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL906668 0.85 GRM5 (0.46) GRM5GRM1HTR2B
SCHEMBL4132863 0.83 PIK3CD (0.36) GRM5GRM1
SCHEMBL1637883 0.78 GRM5 (0.57) GRM5GRM1HTR2B
SCHEMBL2483346 0.68 GRM5 (0.67) GRM5GRM1HTR2B
SCHEMBL11005034 0.68 KDR (0.35) GRM5GRM1KDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL4117859 0.68 GRM5 (0.68) GRM5GRM1HTR2B
SCHEMBL906671 0.67 GRM5 (0.41) GRM5GRM1KDM4EALDH1A1HTR2B
SCHEMBL1637329 0.67 HDAC8 (0.39) KDM4ENPC1ALDH1A1HTT
Hydrochloric Acid SCHEMBL4110907 0.66 GRM5 (0.66) GRM5GRM1HTR2B
SCHEMBL3438307 0.65 RAB9A (0.50) KDM4ENPC1ALDH1A1IRAK4HTT

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 GRM5 2795/4885GRM1 4321/4885KDM4E 963/4885

“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.