SCHEMBL3679115

SCHEMBL3679115

C[Si](C)(C)c1cn(-c2ccc(I)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
NOTUM Q6P988 5/20 0.40
FLT3 P36888 4/20 0.37
TLR8 Q9NR97 1/20 0.37
P2RX7 Q99572 3/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MIF P14174 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CD74 P04233 1/20 0.34

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
SCHEMBL2886167 0.81 P2RX7 (0.52) CA12CA1CA2CA9NOTUM
SCHEMBL15940066 0.78 APP (0.54) KDM4E
SCHEMBL13255921 0.76 CA1 (0.45) CA12CA1CA2CA9NOTUM
SCHEMBL3753209 0.75 HTT (0.49) CA12CA1CA2CA9MAPT
SCHEMBL4977179 0.73 BCHE (0.43) CA12CA1CA2CA9NOTUM
SCHEMBL4972496 0.72 BCHE (0.44) CA12CA1CA2CA9NOTUM
SCHEMBL16971964 0.71 NOTUM (0.45) CA12CA1CA2CA9NOTUM
SCHEMBL18737325 0.69 FLT3 (0.69) CA12CA1CA2CA9NOTUM
SCHEMBL31049690 0.69 NOTUM (0.70) CA12CA1CA2CA9NOTUM
SCHEMBL24952687 0.68 CA12 (0.46) CA12CA1CA2CA9NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CA12 2420/4885CA1 715/4885CA2 135/4885

“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.