SCHEMBL1939038

SCHEMBL1939038

Cc1ccccc1-c1cncc(-c2ccccc2C)c1N1CCC(C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TDP2 O95551 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ GALK1 P51570 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HKDC1 Q2TB90 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1938506 0.92 CYP3A4 (0.50) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1939311 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12363559 0.81 CYP3A4 (0.68) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10500278 0.79 ALDH1A1 (0.57) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2260305 0.75 SMN1; SMN2 (0.57) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1938565 0.75 CYP3A4 (0.71) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1938748 0.75 CYP3A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3436317 0.75 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL12363720 0.74 RAB9A (0.53) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1939052 0.73 CYP3A4 (0.51) CYP3A4ALDH1A1SMN1; SMN2NPC1RAB9A

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 18 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
CN-102171202-A Pyridine and pyrimidine based compounds as WNT signaling pathway inhibitors for the treatment of cancer CANCER REC TECH LTD 2011-08-31 — — CN 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
EP-2331523-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2011-06-15 — — EP claimed
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 claimed
CN-102171202-B Pyridine and pyrimidine based compounds as WNT signaling pathway inhibitors for the treatment of cancer CANCER REC TECH LTD 2015-01-07 — — CN 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-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-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
CN-102171202-A Pyridine and pyrimidine based compounds as WNT signaling pathway inhibitors for the treatment of cancer CANCER REC TECH LTD 2011-08-31 — — CN 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
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
EP-2331523-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2011-06-15 — — EP 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
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 CYP3A4 1871/4885ALDH1A1 1376/4885SMN1; SMN2 4623/4885
US-20140350015-A1 PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER WNT1, CTNNB1, WNT3 CYP3A4 1871/4885ALDH1A1 1376/4885SMN1; SMN2 4623/4885

“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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