SCHEMBL5658644

SCHEMBL5658644

NC(=O)c1cc(C[CH]C(=O)N2CCC(c3ccc(F)cc3)CC2)cc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 2/20 0.39
MCHR1 Q99705 1/20 0.38
CALCA P06881 8/20 0.38
PLK4 O00444 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35

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 0.85 CALCA (0.42) PARP14TNKSPARP1CALCACALCRL
SCHEMBL4852718 0.83 BTK (0.41) CALCAPLK4CHEK1AURKADAPK3
SCHEMBL5779242 0.82 GRIN2B (0.47) MCHR1ROCK1FASN
SCHEMBL4862841 0.82 BTK (0.40) PARP1CALCAPLK4CHEK1AURKA
SCHEMBL5659437 0.81 BTK (0.36) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL5658727 0.81 BTK (0.36) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL5661407 0.81 BTK (0.36) PARP1PLK4CHEK1AURKADAPK3
SCHEMBL3590858 0.81 CALCA (0.43) CALCACALCRL
SCHEMBL5659568 0.80 CALCA (0.36) CALCAPLK4CHEK1AURKADAPK3
SCHEMBL5658732 0.79 NAMPT (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL PARP14 3076/4885TNKS 2747/4885PARP1 2770/4885

“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.