SCHEMBL4136818

SCHEMBL4136818

N#Cc1ccc(N(Cc2nnc(-c3cncnc3)o2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.42
PGR P06401 3/20 0.42
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL4145277 0.89 NPC1 (0.42) ARPGR
SCHEMBL4140528 0.89 AR (0.43) ARPGRNOTUM
SCHEMBL4149443 0.89 AR (0.40) ARPGRNOTUMCYP2C19
SCHEMBL4151282 0.88 AR (0.46) ARPGRNOTUMCYP2C19
SCHEMBL4150660 0.87 AR (0.43) ARPGRNOTUMRXRARXRB
SCHEMBL4150955 0.87 AR (0.43) ARPGRNOTUM
SCHEMBL4150461 0.87 AR (0.43) ARPGRNOTUM
SCHEMBL4145111 0.86 AR (0.49) ARPGR
SCHEMBL13777385 0.86 AR (0.42) ARPGRNOTUMRXRARXRB
SCHEMBL4144387 0.86 AR (0.47) ARPGRNOTUM

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-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US 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 27/4885NOTUM 562/4885

“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.