SCHEMBL1934934

SCHEMBL1934934

CC(F)(F)CNC(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CYP24A1 Q07973 1/20 0.34
TBXAS1 P24557 4/20 0.33
CD38 P28907 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.32

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
SCHEMBL13394197 0.87 L3MBTL1 (0.41) L3MBTL1ALDH1A1
SCHEMBL6808774 0.78 KMT2A (0.41) L3MBTL1KMT2AALDH1A1QPCT
SCHEMBL21039172 0.76 ALDH1A1 (0.36) L3MBTL1TBXAS1ALDH1A1
SCHEMBL18631522 0.75 L3MBTL1 (0.38) L3MBTL1CYP24A1
SCHEMBL4140655 0.75 L3MBTL1 (0.39) L3MBTL1ALDH1A1
SCHEMBL17285650 0.75 ALDH1A1 (0.35) L3MBTL1TBXAS1ALDH1A1QPCT
SCHEMBL5257422 0.75 QPCT (0.45) L3MBTL1MEN1KMT2AALDH1A1QPCT
SCHEMBL6735760 0.74 ALDH1A1 (0.43) L3MBTL1TBXAS1ALDH1A1
SCHEMBL4256422 0.74 QPCT (0.39) CYP24A1TBXAS1ALDH1A1QPCT
SCHEMBL21039055 0.73 EGLN3 (0.36) L3MBTL1TBXAS1ALDH1A1

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
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
EP-2331544-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS Pfizer Inc. (US) 2011-06-15 EP disclosed
WO-2010018481-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC. (US) 2010-02-18 WO disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 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-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 L3MBTL1 3242/4885CYP24A1 4470/4885TBXAS1 969/4885

“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.