SCHEMBL7602632

SCHEMBL7602632

CN(C)CCCNc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 7/20 0.40
LMNA P02545 2/20 0.38
FADS1 O60427 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HPGDS O60760 1/20 0.36
DRD3 P35462 1/20 0.36
PDPK1 O15530 1/20 0.36
CDK1 P06493 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7644584 0.90 PFKFB3 (0.39) PFKFB3LMNAFADS1KDM4EALOX15
SCHEMBL7606688 0.87 PFKFB3 (0.42) PFKFB3LMNAFADS1HPGDSPDPK1
SCHEMBL3409176 0.82 ATM (0.41) NPC1POLBHPGDS
SCHEMBL3408320 0.81 HPGDS (0.37) PFKFB3LMNAKDM4EALOX15TSHR
SCHEMBL3412817 0.79 SMN1; SMN2 (0.42) PFKFB3LMNAFADS1KDM4EALOX15
SCHEMBL4109902 0.78 MAPT (0.44) PFKFB3FADS1KDM4ENPC1RAB9A
SCHEMBL4097398 0.77 KDM4E (0.38) PFKFB3LMNAFADS1KDM4EALOX15
SCHEMBL3404457 0.77 RAB9A (0.47) PFKFB3LMNAFADS1KDM4EALOX15
SCHEMBL4104986 0.77 LMNA (0.39) PFKFB3LMNAFADS1KDM4EALOX15
SCHEMBL3411432 0.77 EPHX2 (0.38) PFKFB3LMNAKDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A PFKFB3 2701/4885LMNA 2383/4885FADS1 2068/4885

“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.