SCHEMBL5658987

SCHEMBL5658987

NC(=O)c1n[nH]c2ccc(C[CH]C(=O)N3CCC(C4CCNCC4)CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.40
WNT1 P04628 3/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
ULK1 O75385 2/20 0.40
GSK3B P49841 6/20 0.37
NTRK1 P04629 1/20 0.36
RBP4 P02753 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
FLT3 P36888 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 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
SCHEMBL3602706 0.84 DYRK1A (0.46) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL5660260 0.83 F2 (0.31) L3MBTL3L3MBTL1
SCHEMBL5660062 0.83 BTK (0.33) L3MBTL3L3MBTL1
SCHEMBL5659357 0.82 RBP4 (0.43) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL5660076 0.81 RBP4 (0.34) RBP4
SCHEMBL3603302 0.79 WNT1 (0.40) DYRK1AWNT1CLK2CLK3NTRK1
SCHEMBL5659000 0.78 SLC6A2 (0.43)
SCHEMBL5658658 0.78 TSHR (0.44) DYRK1AWNT1CLK2CLK3GSK3B
Hydrochloric Acid SCHEMBL27980243 0.75 ULK1 (0.45) DYRK1AWNT1CLK2CLK3ULK1
SCHEMBL5660671 0.72 ROCK2 (0.44)

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 DYRK1A 2246/4885WNT1 2284/4885CLK2 1747/4885

“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.