SCHEMBL5658732

SCHEMBL5658732

CS(=O)(=O)N1CCC(C2CCN(C(=O)[CH]Cc3cc(C(N)=O)c4[nH]ncc4c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.37
SYK P43405 4/20 0.37
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
BTK Q06187 3/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
PRKX P51817 1/20 0.34

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
SCHEMBL5659437 0.90 BTK (0.36) SYKJAK2JAK3BTKPLK4
SCHEMBL5658727 0.88 BTK (0.36) SYKBTKPLK4CHEK1AURKA
SCHEMBL5661407 0.84 BTK (0.36) JAK2JAK3BTKPLK4CHEK1
SCHEMBL4852718 0.83 BTK (0.41) BTKPLK4CHEK1AURKADAPK3
SCHEMBL4862841 0.82 BTK (0.40) BTKPLK4CHEK1AURKADAPK3
SCHEMBL3590858 0.81 CALCA (0.43)
SCHEMBL3605514 0.81 CALCRL (0.39)
SCHEMBL5659568 0.81 CALCA (0.36) BTKPLK4CHEK1AURKADAPK3
SCHEMBL5659680 0.79 CYP3A4 (0.37) JAK3BTK
SCHEMBL5658644 0.79 PARP14 (0.41) BTKPLK4CHEK1AURKADAPK3

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 NAMPT 3012/4885SYK 4400/4885JAK2 3802/4885

“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.