SCHEMBL3398436

SCHEMBL3398436

Fc1ccc(CNCc2ccc3nc(N[C@@H]4CCc5ccccc54)ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.44
MAPK14 Q16539 2/20 0.41
MAPT P10636 1/20 0.39
FADS1 O60427 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
P2RX7 Q99572 1/20 0.36
GBA1 P04062 1/20 0.36
PDPK1 O15530 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL4111719 0.86 DHODH (0.46) PFKFB3LMNA
SCHEMBL1616566 0.84 PFKFB3 (0.41) PFKFB3MAPK14FADS1GBA1LMNA
SCHEMBL3406044 0.84 TAOK1 (0.45) MAPTLMNA
SCHEMBL3407214 0.83 PFKFB3 (0.42) PFKFB3MAPK14MAPTEGFRLMNA
SCHEMBL3401134 0.83 FADS1 (0.41) PFKFB3FADS1DDB1CRBNPDPK1
SCHEMBL3407111 0.80 KDM4E (0.47) PFKFB3MAPTLMNA
SCHEMBL3404613 0.80 HRH3 (0.45) PFKFB3MAPK14DDB1CRBNGBA1
SCHEMBL3407108 0.78 PFKFB3 (0.43) PFKFB3MAPK14FADS1DDB1CRBN
SCHEMBL3407110 0.78 PFKFB3 (0.43) PFKFB3MAPK14FADS1DDB1CRBN
SCHEMBL3398554 0.78 NPC1 (0.52) PFKFB3MAPK14MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP claimed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B PFKFB3 3870/4885MAPK14 4542/4885MAPT 905/4885

“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.