SCHEMBL3461687

SCHEMBL3461687

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PBK Q96KB5 1/20 0.45
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
SMYD3 Q9H7B4 3/20 0.44
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 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
SCHEMBL3463033 1.00 NAMPT (0.49) NAMPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL17055941 0.82 POLB (0.55) NAMPTSMN1; SMN2KMT2AKDM4EPBK
SCHEMBL8234022 0.81 LMNA (0.62) SMN1; SMN2LMNAKDM4ECYP1A2HPGD
SCHEMBL22230378 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1ALDH1A1KMT2A
SCHEMBL30880731 0.78 NAMPT (0.50) NAMPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL28801038 0.77 NAMPT (0.60) NAMPTSMN1; SMN2KDM4EPBKCYP1A2
SCHEMBL3462385 0.77 SMYD3 (0.55) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL3460000 0.77 SMYD3 (0.55) SMN1; SMN2LMNAALDH1A1KMT2AKDM4E
SCHEMBL21722742 0.76 MAPT (0.47) SMN1; SMN2LMNAKDM4ECYP1A2HPGD
SCHEMBL30880780 0.76 MAPT (0.47) SMN1; SMN2LMNAKDM4ECYP1A2HPGD

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 NAMPT 2400/4885SMN1; SMN2 4557/4885LMNA 3773/4885

“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.