SCHEMBL3409181

SCHEMBL3409181

O=C(NCCN1CCOCC1)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 1/20 0.46
LMNA P02545 1/20 0.46
DYRK1A Q13627 1/20 0.45
PRMT3 O60678 1/20 0.44
EGFR P00533 2/20 0.44
EPHX2 P34913 6/20 0.43
ABL1 P00519 3/20 0.42
SHMT2 P34897 1/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3400060 0.83 EPHX2 (0.50) SMN1; SMN2CNR1PRMT3EPHX2MAPT
SCHEMBL3409176 0.83 ATM (0.41) EPHX2
SCHEMBL4109646 0.82 EPHX1 (0.42) LMNAPRMT3EPHX2
SCHEMBL3408302 0.82 ALDH1A1 (0.46) SMN1; SMN2LMNAEPHX2MAPT
SCHEMBL4115021 0.82 KDM4E (0.40) SMN1; SMN2LMNAMAPT
SCHEMBL3409274 0.82 JAK2 (0.42) SMN1; SMN2LMNAMAPT
SCHEMBL3406496 0.82 EPHX1 (0.50) EPHX2
SCHEMBL3402881 0.82 MAPT (0.41) LMNAEGFRMAPT
SCHEMBL3414458 0.81 CXCR3 (0.49) SMN1; SMN2LMNAEPHX2CYP2D6
SCHEMBL3411432 0.81 EPHX2 (0.38) SMN1; SMN2LMNAPRMT3EPHX2

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 6 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 claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP 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

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 SMN1; SMN2 3345/4885CNR1 83/4885LMNA 2383/4885

“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.