SCHEMBL4145111

SCHEMBL4145111

Cc1ccc(-c2nnc(CN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.49
PGR P06401 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL4144387 0.92 AR (0.47) ARPGRSMN1; SMN2ALDH1A1MAPT
SCHEMBL4150461 0.91 AR (0.43) ARPGRSMN1; SMN2HPGDNPC1
SCHEMBL4150955 0.91 AR (0.43) ARPGR
SCHEMBL13777385 0.90 AR (0.42) ARPGRNPC1RAB9A
SCHEMBL4151282 0.90 AR (0.46) ARPGRSMN1; SMN2ALDH1A1MAPT
SCHEMBL4153133 0.89 AR (0.52) ARPGRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4150525 0.89 AR (0.43) ARPGRSMN1; SMN2ALDH1A1MAPT
SCHEMBL4137709 0.89 AR (0.52) ARPGRALDH1A1MAPTKDM4E
SCHEMBL4140528 0.89 AR (0.43) ARPGRSMN1; SMN2ALDH1A1MAPT
SCHEMBL13777367 0.88 AR (0.43) ARPGRSMN1; SMN2ALDH1A1MAPT

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
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP claimed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885PGR 27/4885SMN1; SMN2 4885/4885

“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.