SCHEMBL3398588

SCHEMBL3398588

O=C(Nc1ccnc(Cl)c1)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.46
SMARCA4 P51532 6/20 0.46
LMNA P02545 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
FADS1 O60427 1/20 0.40
NSD2 O96028 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CDC25B P30305 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL3401137 0.89 ALDH1A1 (0.43) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3403165 0.88 KMT2A (0.48) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3405693 0.87 NPC1 (0.45) SMARCA2SMARCA4LMNAMEN1KMT2A
SCHEMBL3398554 0.85 NPC1 (0.52) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3411790 0.85 NPC1 (0.42) LMNAMEN1KMT2ANPC1MAPT
SCHEMBL3405908 0.84 CDK2 (0.45) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3412407 0.84 JAK2 (0.47) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3401343 0.83 KMT2A (0.56) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3402881 0.83 MAPT (0.41) LMNAMEN1KMT2APOLBMAPT
SCHEMBL3401148 0.83 HTR2C (0.37) MEN1KMT2ANPC1POLBMAPT

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 SMARCA2 2689/4885SMARCA4 2743/4885LMNA 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.