SCHEMBL3410253

SCHEMBL3410253

O=C(Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)NC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 4/20 0.40
KHK P50053 1/20 0.40
ALDH1A1 P00352 4/20 0.40
EPHX1 P07099 3/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NMT1 P30419 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL3412407 0.93 JAK2 (0.47) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3413540 0.91 RAB9A (0.50) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3409274 0.89 JAK2 (0.42) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3408455 0.88 EPHX2 (0.46) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3415079 0.87 EPHX2 (0.42) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3403165 0.86 KMT2A (0.48) NPC1KMT2AMEN1LMNAALDH1A1
SCHEMBL3410853 0.85 ALDH1A1 (0.51) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3432307 0.85 LMNA (0.59) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3412408 0.85 USP2 (0.45) JAK2JAK1TYK2JAK3NPC1
SCHEMBL3412412 0.85 USP2 (0.45) JAK2JAK1TYK2JAK3NPC1

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 JAK2 1035/4885JAK1 2428/4885TYK2 1735/4885

“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.