SCHEMBL3462385

SCHEMBL3462385

O=C(N[C@@H]1CCNC1)c1cnccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.55
GRM5 P41594 1/20 0.47
GAA P10253 1/20 0.47
PRKCI P41743 1/20 0.47
MAPT P10636 1/20 0.47
MMP2 P08253 1/20 0.46
ANPEP P15144 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
KDM5A P29375 1/20 0.45
PABPC1 P11940 1/20 0.45
KDM4E B2RXH2 1/20 0.45
P2RY14 Q15391 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PBK Q96KB5 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3460000 1.00 SMYD3 (0.55) SMYD3GRM5GAAPRKCIMAPT
SCHEMBL3460359 0.92 SMYD3 (0.53) SMYD3GRM5GAAMAPTMMP2
SCHEMBL3460185 0.92 SMYD3 (0.53) SMYD3GRM5GAAMAPTMMP2
SCHEMBL3462774 0.92 SMYD3 (0.53) SMYD3GRM5GAAMAPTMMP2
SCHEMBL8185773 0.84 SMYD3 (0.49) SMYD3GAAPRKCIMAPTUTS2R
SCHEMBL1535206 0.83 SMYD3 (0.74) SMYD3GRM5GAAMAPTMMP2
Hydrochloric Acid SCHEMBL27767397 0.82 SMYD3 (0.72) SMYD3GRM5GAAMAPTMMP2
SCHEMBL28266316 0.80 SMYD3 (0.66) SMYD3GRM5GAAMAPTMMP2
SCHEMBL31654175 0.80 GRM5 (0.63) SMYD3GRM5GAAUTS2RKDM4E
SCHEMBL14477846 0.80 GRM5 (0.63) SMYD3GRM5GAAUTS2RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 SMYD3 3540/4885GRM5 327/4885GAA 3885/4885

“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.