SCHEMBL1425301

SCHEMBL1425301

Nc1nc2c(c(-c3ccc(Cl)cc3Cl)n1)CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 4/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTR2B P41595 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ DPP4 P27487 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL1425642 0.86 HSP90AB1 (0.39) HSP90AB1HSP90AA1HTR2BPDE4DDPP4
SCHEMBL1425982 0.75 HSP90AA1 (0.40) HSP90AB1HSP90AA1MAPTHTR2BDPP4
SCHEMBL12811668 0.74 HSP90AA1 (0.39) HSP90AB1HSP90AA1DPP4NPC1GAA
SCHEMBL12811872 0.72 HSP90AB1 (0.43) HSP90AB1HSP90AA1CDC7CCNT1CSNK2A2
SCHEMBL15662918 0.71 MAPK14 (0.48) HSP90AB1HSP90AA1MAPTHTR2BCYP3A4
SCHEMBL1425439 0.70 HSP90AB1 (0.32) HSP90AB1HSP90AA1
SCHEMBL1425495 0.70 HSP90AB1 (0.40) HSP90AB1HSP90AA1CDC7CCNT1CSNK2A2
SCHEMBL1426122 0.70 CRHR1 (0.41) HSP90AB1HSP90AA1DPP4CYP3A4
SCHEMBL13495975 0.68 DPP4 (0.32) DPP4KDM4E
SCHEMBL6223795 0.68 HTR2A (0.42) MAPTHPGDHTR2BDPP4KDM4E

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 7 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
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
EP-2118111-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER Pfizer Inc. (US) 2009-11-18 — — EP 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
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 HSP90AB1 2/4885HSP90AA1 3/4885MAPT 613/4885

“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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