SCHEMBL3406496

SCHEMBL3406496

O=C(NCC1CC1)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
TAOK3 Q9H2K8 1/20 0.39
PRKCQ Q04759 2/20 0.39
EPHX2 P34913 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL4109646 0.93 EPHX1 (0.42) EPHX1POLBNPC1TAOK3PRKCQ
SCHEMBL3403165 0.87 KMT2A (0.48) NPC1RAB9ATAOK3
SCHEMBL3411790 0.86 NPC1 (0.42) NPC1
SCHEMBL3409176 0.86 ATM (0.41) POLBNPC1TAOK3EPHX2
SCHEMBL3400060 0.86 EPHX2 (0.50) EPHX1NPC1RAB9ATAOK3EPHX2
SCHEMBL3408302 0.85 ALDH1A1 (0.46) POLBNPC1TAOK3EPHX2
SCHEMBL3412407 0.85 JAK2 (0.47) EPHX1POLBNPC1RAB9AEPHX2
SCHEMBL3398554 0.85 NPC1 (0.52) NPC1RAB9A
SCHEMBL3414984 0.84 AURKA (0.41) NPC1
SCHEMBL4109902 0.84 MAPT (0.44) NPC1RAB9A

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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 EPHX1 1933/4885POLB 4179/4885NPC1 2931/4885

“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.