SCHEMBL12523907

SCHEMBL12523907

N=C(N)NC(=O)NCc1cccc(-c2cnc(NCCc3cccnc3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.42
FES P07332 1/20 0.42
RET P07949 1/20 0.42
MARK3 P27448 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
BACE1 P56817 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KMT2A Q03164 1/20 0.40
VNN1 O95497 2/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL16785035 0.92 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1RECQLFESRET
SCHEMBL16784944 0.89 VNN1 (0.38) SMN1; SMN2L3MBTL1LMNAHDAC2HDAC6
SCHEMBL16785060 0.86 PADI3 (0.41) HDAC2HDAC6VNN1HDAC3HDAC1
SCHEMBL16785193 0.85 PADI3 (0.41) HDAC2HDAC6BACE1VNN1HDAC3
SCHEMBL16785036 0.84 F7 (0.40) HDAC2HDAC6HDAC8HDAC3HDAC1
SCHEMBL16784936 0.84 AURKA (0.43) SMN1; SMN2VNN1HDAC1
SCHEMBL16785238 0.84 COPS5 (0.37) HDAC2HDAC6KMT2AHDAC3HDAC1
SCHEMBL12525772 0.84 PADI3 (0.40) HDAC2HDAC6VNN1HDAC3HDAC1
SCHEMBL16785217 0.83 PADI3 (0.39) FESRETMARK3TYK2FLT4
SCHEMBL16785199 0.83 PADI3 (0.39) SYKCLK4LMNAHDAC2HDAC3

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
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
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 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-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.