SCHEMBL1426147

SCHEMBL1426147

CCOC(=O)N1Cc2nc(N)nc(-c3ccc(Br)cc3CC)c2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 9/20 0.36
HSP90AB1 P08238 7/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL1425453 0.82 HSP90AB1 (0.43) MEN1KMT2AHSP90AA1HSP90AB1GAA
SCHEMBL1425895 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1KDM4EHSD17B10
SCHEMBL1425517 0.80 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL1425628 0.80 HSP90AA1 (0.46) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL1425765 0.80 HSP90AA1 (0.42) MAPK1MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL1425659 0.80 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1POLBMAPT
SCHEMBL1425483 0.80 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1POLBMAPT
SCHEMBL1425375 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL1425572 0.78 HSP90AB1 (0.47) HSP90AA1HSP90AB1ALDH1A1KDM4EGAA
SCHEMBL1425516 0.78 ALDH1A1 (0.41) MAPK1MEN1KMT2AHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 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 (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-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 MAPK1 1703/4885MEN1 4730/4885KMT2A 1995/4885

“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.