SCHEMBL16785035

SCHEMBL16785035

N=C(N)NC(=O)NCc1cccc(-c2cnc(NCc3cccnc3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
VNN1 O95497 7/20 0.47
LMNA P02545 1/20 0.47
EPHX1 P07099 1/20 0.45
KMT2A Q03164 2/20 0.45
BACE1 P56817 1/20 0.45
FES P07332 1/20 0.45
RET P07949 1/20 0.45
MARK3 P27448 1/20 0.45
TYK2 P29597 1/20 0.45
FLT4 P35916 1/20 0.45
SYK P43405 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL12523907 0.92 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RECQLHDAC3HDAC1
SCHEMBL16785053 0.86 AOC3 (0.40) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL12526727 0.86 SHMT2 (0.37) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16785290 0.85 KDR (0.41) HDAC3HDAC6LMNABACE1CLK2
SCHEMBL16785060 0.85 PADI3 (0.41) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18757147 0.85 VNN1 (0.53) SMN1; SMN2L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16784944 0.85 VNN1 (0.38) SMN1; SMN2L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16785193 0.84 PADI3 (0.41) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL12525772 0.84 PADI3 (0.40) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16785074 0.83 BRAF (0.44) SYKNAMPTTSHR

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
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB SMN1; SMN2 679/4885L3MBTL1 2495/4885RECQL 4617/4885

“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.