SCHEMBL4528853

SCHEMBL4528853

O=C(O)COC1CCN(c2nc(-c3cc(F)c(Cl)cc3F)nc3ccsc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
PIK3CA P42336 12/20 0.36
MTOR P42345 9/20 0.36
PIK3C2B O00750 1/20 0.35
CCNE2 O96020 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 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
Hydrochloric Acid SCHEMBL4509837 0.99 PIK3CA (0.37) PRKCIITGB3ITGA2BPIK3CAMTOR
Hydrochloric Acid SCHEMBL4518127 0.86 RORC (0.41) PRKCIPIK3CAMTORPIK3C2BCCNE2
SCHEMBL390467 0.84 PRKCI (0.36) PRKCIPIK3CAMTORPIK3C2BCCNE2
SCHEMBL390110 0.83 PRKCI (0.43) PRKCIPIK3CAMTORPIK3C2BCCNE2
Hydrochloric Acid SCHEMBL4526797 0.82 PIK3CA (0.42) PRKCIPIK3CAMTORPIK3C2BCCNE2
SCHEMBL390254 0.82 PRKCI (0.40) PRKCIPIK3CAMTORPIK3C2BCCNE2
SCHEMBL390178 0.82 MPL (0.40) PRKCIPIK3CAMTORPIK3C2BCCNE2
Hydrochloric Acid SCHEMBL4508182 0.82 PRKCI (0.39) PRKCIPIK3CAMTORPIK3C2BCCNE2
Hydrochloric Acid SCHEMBL4518145 0.82 MPL (0.39) PRKCIPIK3CAMTORPIK3C2BCCNE2
SCHEMBL4508184 0.81 RAF1 (0.38) PRKCIPIK3CAMTORPIK3C2BCCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557112-B2 Aromatic-ring-fused pyrimidine derivative ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-10-25 US disclosed
EP-1806347-A1 AROMATIC-RING-FUSED PYRIMIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-07-11 EP 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-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative GPR119, NOD1, IRS1 PRKCI 2657/4885ITGB3 4788/4885ITGA2B 4786/4885

“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.