Sugi Predict

Sugi Predict / Compounds / SCHEMBL3602706

SCHEMBL3602706

SCHEMBL3602706

NC(=O)c1n[nH]c2ccc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.46
▸ WNT1 P04628 3/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ CLK3 P49761 2/20 0.46
▸ L3MBTL3 Q96JM7 7/20 0.38
▸ L3MBTL1 Q9Y468 6/20 0.38
▸ MBTD1 Q05BQ5 4/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CALCRL Q16602 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL5658987 0.84 DYRK1A (0.40) DYRK1AWNT1CLK2CLK3L3MBTL3
SCHEMBL4857017 0.83 LRRK2 (0.38) DYRK1AWNT1CLK2CLK3L3MBTL3
SCHEMBL6135494 0.83 L3MBTL3 (0.35) DYRK1AWNT1CLK2CLK3L3MBTL3
SCHEMBL4855835 0.83 CYP3A4 (0.38) DYRK1AWNT1CLK2CLK3L3MBTL3
SCHEMBL5659357 0.81 RBP4 (0.43) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL4862674 0.79 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1CALCRLCYP3A4
SCHEMBL4862660 0.79 HRH4 (0.44) L3MBTL3L3MBTL1MBTD1
SCHEMBL4855664 0.78 ALDH1A1 (0.37) L3MBTL3L3MBTL1MBTD1LRRK2CALCRL
SCHEMBL3603302 0.78 WNT1 (0.40) DYRK1AWNT1CLK2CLK3CALCRL
SCHEMBL5658658 0.77 TSHR (0.44) DYRK1AWNT1CLK2CLK3GSK3B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 — — WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 — — WO claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 — — EP claimed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 — — US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 — — US claimed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 — — US claimed
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-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 — — US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 — — US claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 — — WO disclosed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 — — WO disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 — — US disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 — — US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 — — US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 — — US disclosed
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
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 — — US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 — — 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 (5 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
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR DYRK1A 4407/4885WNT1 2078/4885CLK2 2423/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH DYRK1A 3601/4885WNT1 4710/4885CLK2 2677/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL DYRK1A 4142/4885WNT1 3148/4885CLK2 2054/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR DYRK1A 4407/4885WNT1 2078/4885CLK2 2423/4885

“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.