SCHEMBL2726665

SCHEMBL2726665

CCOC(=O)C1=C(C)Nc2c(c(Cl)nc(=O)n2-c2ccccc2)C1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
ACHE P22303 2/20 0.48
ABCC1 P33527 1/20 0.47
KDM4A O75164 1/20 0.46
USP2 O75604 1/20 0.46
MPI P34949 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13014431 0.89 ADORA3 (0.52) ADORA3KDM4EALDH1A1ACHEABCC1
SCHEMBL13012894 0.88 KMT2A (0.39) KDM4EALDH1A1BRD4BRD2BRD3
SCHEMBL3435001 0.87 ALDH1A1 (0.41) ADORA3KDM4EALDH1A1ACHEABCC1
SCHEMBL13014429 0.86 ADORA3 (0.51) ADORA3KDM4EALDH1A1ACHEBRD4
SCHEMBL13014248 0.85 ABCC1 (0.48) ADORA3KDM4EALDH1A1ACHEABCC1
SCHEMBL13014421 0.84 ADORA3 (0.49) ADORA3KDM4EALDH1A1ACHEKDM4A
SCHEMBL13014414 0.84 ADORA3 (0.49) ADORA3KDM4EALDH1A1ACHEABCC1
SCHEMBL13014427 0.83 ADORA3 (0.48) ADORA3KDM4EALDH1A1ACHEABCC1
SCHEMBL13014412 0.83 ADORA3 (0.48) ADORA3KDM4EALDH1A1ACHEKDM4A
SCHEMBL13014415 0.83 ALDH1A1 (0.48) ADORA3KDM4EALDH1A1ACHEUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445913-B1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCH (DE) 2014-04-30 EP disclosed
EP-2445913-B1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCH (DE) 2014-04-30 EP disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
EP-2445913-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS Deutsches Krebsforschungszentrum (DE) 2012-05-02 EP disclosed
WO-2010149783-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149783-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed
EP-2266985-A1 Tricyclic Pyrimidine Derivatives as Wnt antagonists Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed
EP-2266985-A1 Tricyclic Pyrimidine Derivatives as Wnt antagonists Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP 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-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS WNT1, WNT3, WNT3A ADORA3 40/4885KDM4E 3910/4885ALDH1A1 1200/4885

“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.