SCHEMBL4033663

SCHEMBL4033663

Cc1ccc(Cl)c(-c2cc(Cl)nc(N)n2)c1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.52
HSP90AB1 P08238 9/20 0.52
KDM4E B2RXH2 1/20 0.45
ADCY10 Q96PN6 5/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
AGPAT2 O15120 1/20 0.38
POLA1 P09884 1/20 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
SCHEMBL24298190 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
SCHEMBL25346606 0.78 HSP90AA1 (0.50) HSP90AA1HSP90AB1KDM4EADCY10MEN1
SCHEMBL29459035 0.78 HSP90AA1 (0.50) HSP90AA1HSP90AB1KDM4EADCY10MEN1
SCHEMBL22501986 0.77 HSP90AA1 (0.66) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
Hydrochloric Acid SCHEMBL22502036 0.76 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
SCHEMBL3943279 0.75 HSP90AA1 (0.62) HSP90AA1HSP90AB1KDM4EADCY10MEN1
SCHEMBL4289224 0.74 AGPAT2 (0.64) HSP90AA1HSP90AB1KDM4EADCY10MEN1
SCHEMBL24298147 0.73 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EADCY10
SCHEMBL29457739 0.73 HSP90AA1 (0.54) HSP90AA1HSP90AB1KDM4EADCY10
Ammonia Solution, Strong SCHEMBL5567629 0.72 HSP90AA1 (0.51) HSP90AA1HSP90AB1KDM4EADCY10MAPT

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
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 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-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885KDM4E 4124/4885

“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.