SCHEMBL2260305

SCHEMBL2260305

COc1ccc(-c2cncc(-c3ccc(OC)cc3)c2N2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CYP3A4 P08684 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ NEK2 P51955 1/20 0.47
▸ SCN9A Q15858 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL12363720 0.95 RAB9A (0.53) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1938838 0.92 CYP3A4 (0.64) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1939659 0.86 CYP3A4 (0.55) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1937729 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1939315 0.84 KDM4E (0.58) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1939311 0.83 CYP3A4 (0.59) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1939620 0.80 CYP3A4 (0.62) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL1939052 0.79 CYP3A4 (0.51) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL8125365 0.77 ALDH1A1 (0.60) SMN1; SMN2RAB9AALDH1A1KDM4EHPGD
SCHEMBL1938820 0.77 CYP3A4 (0.70) SMN1; SMN2RAB9ACYP3A4ALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 — — US claimed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 — — US claimed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 — — US disclosed
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER REC TECH LTD (GB) 2014-11-27 — — US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 — — US disclosed
US-8778925-B2 Pyridine and pyrimidine based compounds as Wnt signaling pathway inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LTD. (GB) 2014-07-15 — — US disclosed
US-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED 2011-08-04 — — US disclosed
WO-2010041054-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-04-15 — — WO 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 (2 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-20110190297-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 SMN1; SMN2 4623/4885RAB9A 2116/4885CYP3A4 1871/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 SMN1; SMN2 4623/4885RAB9A 2116/4885CYP3A4 1871/4885

“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.

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