SCHEMBL5659252

SCHEMBL5659252

NC(=O)c1cc(C[CH]C(=O)N2CCN(C3CCNCC3)CC2)cc2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.40
CHUK O15111 9/20 0.40
BTK Q06187 6/20 0.38
PARP1 P09874 1/20 0.35
PDPK1 O15530 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACVR1 Q04771 1/20 0.33

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
SCHEMBL5659529 0.92 IKBKB (0.40) IKBKBCHUKBTKPARP1PDPK1
SCHEMBL5660922 0.89 IKBKB (0.40) IKBKBCHUKBTKPARP1PDPK1
SCHEMBL5660488 0.85 PARP1 (0.35) BTKPARP1ACVR1
SCHEMBL5662184 0.82 CALCA (0.35)
SCHEMBL5660456 0.82 PARP1 (0.33) BTKPARP1KDM4EALDH1A1ACVR1
SCHEMBL5659282 0.82 IKBKB (0.40) IKBKBCHUKBTKPARP1PDPK1
SCHEMBL5660539 0.79 ACACB (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5661018 0.79 ACACB (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5659568 0.77 CALCA (0.36) BTK
SCHEMBL3605514 0.76 CALCRL (0.39)

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 IKBKB 868/4885CHUK 851/4885BTK 3872/4885

“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.