SCHEMBL4862722

SCHEMBL4862722

NC(=O)c1cc(C[CH]C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.38
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1A1 P48729 1/20 0.37
PRKX P51817 1/20 0.37
CDK5 Q00535 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MST1R Q04912 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL4851302 0.90 CALCA (0.42) CALCRLSYKPARP1CYP3A4ROCK2
SCHEMBL4852718 0.85 BTK (0.41) CALCRLPLK4CHEK1AURKADAPK3
SCHEMBL4857834 0.84 ADRB2 (0.42) PARP1CYP3A4
SCHEMBL4862841 0.84 BTK (0.40) CALCRLPLK4CHEK1AURKADAPK3
SCHEMBL6802072 0.80 HTR1A (0.39) BTKPARP1HRH3AOC3ITGB3
SCHEMBL3605514 0.79 CALCRL (0.39) CALCRLCALCA
SCHEMBL5660488 0.79 PARP1 (0.35) CALCRLPLK4CHEK1AURKADAPK3
SCHEMBL5659437 0.78 BTK (0.36) CALCRLPLK4CHEK1AURKADAPK3
SCHEMBL5661407 0.78 BTK (0.36) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL5658727 0.78 BTK (0.36) PLK4CHEK1AURKADAPK3MAP4K4

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 13 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-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US claimed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP 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
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
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 (4 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL CALCRL 3/4885PLK4 3244/4885CHEK1 2861/4885
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885PLK4 4391/4885CHEK1 618/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CALCRL 3/4885PLK4 3455/4885CHEK1 1306/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885PLK4 4391/4885CHEK1 618/4885

“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.