SCHEMBL5658830

SCHEMBL5658830

NC(=O)c1cc(C[CH]C(=O)N2CCC(C3CCNCC3)CC2)cc2nn[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB3 P05106 4/20 0.31
ITGA2B P08514 4/20 0.31
PARP1 P09874 3/20 0.31
GNAI3 P08754 3/20 0.30
GNAO1 P09471 3/20 0.30
GNAI1 P63096 3/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL5660456 0.90 PARP1 (0.33) BTKPARP1
SCHEMBL5659643 0.89 L3MBTL3 (0.31) BTKL3MBTL3L3MBTL1
SCHEMBL5658727 0.83 BTK (0.36) BTKL3MBTL3L3MBTL1ITGB3ITGA2B
SCHEMBL5659306 0.80 EGFR (0.31) BTK
SCHEMBL5660922 0.80 IKBKB (0.40) BTKL3MBTL3L3MBTL1PARP1F2
SCHEMBL5661004 0.74 ADRB1 (0.30)
SCHEMBL5660062 0.74 BTK (0.33) BTKL3MBTL3L3MBTL1ITGB3ITGA2B
SCHEMBL5660488 0.74 PARP1 (0.35) BTKPARP1
SCHEMBL5660260 0.74 F2 (0.31) BTKL3MBTL3L3MBTL1ITGB3ITGA2B
SCHEMBL5659437 0.73 BTK (0.36) BTKPARP1

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 BTK 3872/4885L3MBTL3 4854/4885L3MBTL1 4753/4885

“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.