SCHEMBL1425564

SCHEMBL1425564

CCOC(=O)N1Cc2nc(N)nc(OCc3ccc(Cl)cc3OC)c2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
HSP90AA1 P07900 9/20 0.39
HSP90AB1 P08238 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
IDE P14735 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL12811844 0.90 KDM4C (0.44) KDM5AKDM4CKDM5BHSP90AA1HSP90AB1
SCHEMBL1425451 0.87 ALDH1A1 (0.40) HSP90AA1HSP90AB1SMN1; SMN2TSHRALDH1A1
SCHEMBL1425497 0.84 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1PTGDR2
SCHEMBL1425516 0.81 ALDH1A1 (0.41) HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL1426475 0.79 SMN1; SMN2 (0.40) HSP90AA1HSP90AB1SMN1; SMN2TSHRALDH1A1
SCHEMBL1425991 0.78 ALDH1A1 (0.42) SMN1; SMN2TSHRALDH1A1GAA
SCHEMBL3304147 0.77 ALDH1A1 (0.46) HSP90AA1HSP90AB1ALDH1A1PTGDR2
SCHEMBL14134799 0.77 HSP90AA1 (0.36) KDM5AKDM5BHSP90AA1HSP90AB1
SCHEMBL1425421 0.76 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL13394107 0.75 MAPT (0.36) SMN1; SMN2ALDH1A1GAA

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 4 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

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 KDM5A 3077/4885KDM4C 4111/4885KDM5B 3168/4885

“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.