SCHEMBL1425660

SCHEMBL1425660

CCOC(=O)N1Cc2nc(N)nc(-c3ccc4ccccc4c3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
P2RY12 Q9H244 1/20 0.41
SRC P12931 2/20 0.40
RIPK2 O43353 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
P2RX7 Q99572 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2A P29274 2/20 0.38

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
SCHEMBL1426347 0.90 SRC (0.44) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL1425453 0.80 HSP90AB1 (0.43) MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL13495928 0.76 KDM4E (0.40) MEN1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL1425765 0.76 HSP90AA1 (0.42) SLC6A3MEN1MAPTMAPK1RAB9A
SCHEMBL1425628 0.76 HSP90AA1 (0.46) MEN1MAPTKMT2AHSP90AA1HSP90AB1
SCHEMBL1425895 0.75 HSP90AA1 (0.40) ALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL1426147 0.75 MAPK1 (0.39) MEN1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL1425492 0.75 HSP90AA1 (0.44) P2RX7ALDH1A1HSP90AA1HSP90AB1
SCHEMBL1425756 0.75 ALDH1A1 (0.44) MEN1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL1425313 0.74 MAPT (0.38) MEN1ALDH1A1MAPTMAPK1RAB9A

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 6 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
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 JAK2 375/4885JAK3 1223/4885P2RY12 777/4885

“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.