SCHEMBL3462409

SCHEMBL3462409

CN1CC[C@H](NC(=O)c2cnccn2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.58
HRH1 P35367 2/20 0.58
KDM5A P29375 1/20 0.56
SMYD3 Q9H7B4 2/20 0.53
MMP2 P08253 1/20 0.53
ANPEP P15144 1/20 0.53
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.46
GRM5 P41594 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45
PABPC1 P11940 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
SSTR4 P31391 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL21722409 1.00 HRH2 (0.58) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL31086828 0.92 HRH2 (0.53) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL31086862 0.92 SMYD3 (0.59) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL31086876 0.89 MMP2 (0.57) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL18193682 0.89 MMP2 (0.57) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL3462118 0.83 HRH2 (0.63) HRH2HRH1KDM5ASMYD3MMP2
SCHEMBL31654067 0.81 GRM5 (0.60) KDM5ASMYD3CHRNB2CHRNB4CHRNA3
SCHEMBL356606 0.81 GRM5 (0.60) KDM5ASMYD3CHRNB2CHRNB4CHRNA3
SCHEMBL1535206 0.81 SMYD3 (0.74) KDM5ASMYD3MMP2ANPEPLMNA
Hydrochloric Acid SCHEMBL27767397 0.79 SMYD3 (0.72) HRH2HRH1KDM5ASMYD3MMP2

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 HRH2 1297/4885HRH1 1436/4885KDM5A 2275/4885

“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.