SCHEMBL4520573

SCHEMBL4520573

COc1ccc(COc2cccc(OCC3CC3)c2C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
ACACA Q13085 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER1 P34995 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL4946009 0.87 MAOB (0.50) MAOBSMN1; SMN2TDP1PTGER1
SCHEMBL14339676 0.86 ABCB1 (0.47) MAOBNPC1RAB9AABCB1
SCHEMBL29788601 0.86 MAOB (0.57) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL1971024 0.86 MAOB (0.57) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL24978176 0.84 MAOB (0.48) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL7405753 0.84 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4946263 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DACACA
SCHEMBL24978450 0.81 MAOB (0.73) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4941339 0.80 NPC1 (0.53) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL30800458 0.80 MAOB (0.53) MAOBNPC1RAB9APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same MURATA TOSHIKI 2009-02-26 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
EP-1487842-B1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2007-03-14 EP disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same BAYER HEALTHCARE AG (DE) 2005-09-29 US disclosed
EP-1487842-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME Bayer HealthCare AG (DE) 2004-12-22 EP disclosed
US-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
WO-2003076447-A1 AN OPTICALLY ACITVE PYRIDINE DERIVATIVE AND A MEDICAMENT CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2003-09-18 WO disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 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 (8 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-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents IL6, HRH4, CXCR6 MAOB 2657/4885PDE4A 1265/4885PDE4B 1439/4885
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885PDE4A 2621/4885PDE4B 2848/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MAOB 4683/4885PDE4A 2621/4885PDE4B 2848/4885
US-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 MAOB 3448/4885PDE4A 2379/4885PDE4B 1754/4885
US-20090054424-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL17A MAOB 2162/4885PDE4A 150/4885PDE4B 252/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS MAOB 340/4885PDE4A 228/4885PDE4B 276/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885PDE4A 2621/4885PDE4B 2848/4885
US-20050215547-A1 Optically active pyridine derivative and a medicament containing the same IL1B, NFKBIA, IL1A MAOB 2281/4885PDE4A 131/4885PDE4B 145/4885

“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.