SCHEMBL4852718

SCHEMBL4852718

NC(=O)c1cc(C[CH]C(=O)N2CCCC2)cc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.41
CLK4 Q9HAZ1 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
PRKX P51817 1/20 0.41
CDK5 Q00535 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MST1R Q04912 1/20 0.41

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
SCHEMBL4862841 0.99 BTK (0.40) BTKCLK4PLK4CHEK1AURKA
SCHEMBL3590858 0.89 CALCA (0.43) CALCRLCALCA
SCHEMBL3605514 0.87 CALCRL (0.39) CALCRLCALCA
SCHEMBL5661407 0.86 BTK (0.36) BTKCLK4PLK4CHEK1AURKA
SCHEMBL5658727 0.86 BTK (0.36) BTKCLK4PLK4CHEK1AURKA
SCHEMBL5659437 0.86 BTK (0.36) BTKCLK4PLK4CHEK1AURKA
SCHEMBL5662184 0.85 CALCA (0.35) CALCRLCALCA
SCHEMBL4862722 0.85 CALCRL (0.38) BTKCLK4PLK4CHEK1AURKA
SCHEMBL5660488 0.84 PARP1 (0.35) BTKCLK4PLK4CHEK1AURKA
SCHEMBL4851302 0.84 CALCA (0.42) ALDH1A1ROCK2CALCRLCALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR BTK 3688/4885CLK4 3432/4885PLK4 4391/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL BTK 3048/4885CLK4 3316/4885PLK4 3455/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR BTK 3688/4885CLK4 3432/4885PLK4 4391/4885

“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.