SCHEMBL3414720

SCHEMBL3414720

CC(C)NC(=O)Nc1ccc2nc(NC3COc4ccccc43)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.45
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 6/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
MAPK1 P28482 3/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3410563 0.83 NPY1R (0.48) NPY1RNPC1KMT2A
SCHEMBL3410116 0.82 TRPV1 (0.46) TRPV1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL3415258 0.77 BRD4 (0.42) MAPTSMN1; SMN2
SCHEMBL4106721 0.76 KDM1A (0.37) MAPK1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL4107588 0.75 KDM1A (0.38) RAB9ANPC1MAPK1MAPTTP53
SCHEMBL4100059 0.75 RIPK1 (0.37) RAB9ANPC1PABPC1APOBEC3AAPOBEC3G
SCHEMBL3413644 0.75 NPY1R (0.46) NPY1R
SCHEMBL3415578 0.75 NPY1R (0.43) NPY1RNPC1TRPV1
SCHEMBL3413266 0.75 TRPV1 (0.45) NPY1RRAB9ANPC1TRPV1POLB
SCHEMBL3404302 0.74 BACE1 (0.37) RAB9ANPC1MAPK1MAPTSMN1; SMN2

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 NPY1R 93/4885CCNE1 494/4885CDK2 345/4885

“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.