SCHEMBL4117005

SCHEMBL4117005

Cc1cc(Nc2ccc3nc(NC4CCc5cc(F)ccc54)ccc3c2)no1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
TP53 P04637 4/20 0.39
HDAC6 Q9UBN7 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
PFKFB3 Q16875 3/20 0.34
TRPV1 Q8NER1 3/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4108756 0.86 MAPT (0.43) MAPTTP53HDAC6JAK2JAK3
SCHEMBL4111676 0.85 HDAC6 (0.39) MAPTTP53HDAC6JAK2JAK3
SCHEMBL4112522 0.81 MAPT (0.38) MAPTTP53CYP1A2CYP2C19PFKFB3
SCHEMBL4099836 0.80 MAPT (0.42) MAPTTP53HDAC6JAK2JAK3
SCHEMBL4099205 0.80 TRPV1 (0.44) MAPTTP53HDAC6MEN1KMT2A
SCHEMBL3428702 0.78 HDAC6 (0.40) MAPTTP53HDAC6PFKFB3TRPV1
SCHEMBL3405685 0.78 HDAC6 (0.40) MAPTHDAC6CYP2C19CYP2C9PFKFB3
SCHEMBL4106297 0.76 SYK (0.41) HDAC6
SCHEMBL3413266 0.76 TRPV1 (0.45) HDAC6KMT2ATRPV1POLB
SCHEMBL4111354 0.75 NAMPT (0.42) HDAC6CYP1A2CYP2C19TRPV1POLB

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 4 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
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
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 MAPT 905/4885TP53 4792/4885HDAC6 884/4885

“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.