SCHEMBL2243012

SCHEMBL2243012

COc1ccc(CC(=O)Nc2cccc3nc(NC4CCc5cc(F)ccc54)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TRPV1 Q8NER1 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.41
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNQ2 O43526 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2243123 0.93 TRPV1 (0.45) P2RX7ALDH1A1TRPV1SMN1; SMN2MAPT
SCHEMBL2242405 0.90 ALDH1A1 (0.53) P2RX3P2RX7ALDH1A1SMN1; SMN2MAPT
SCHEMBL2243312 0.90 ALDH1A1 (0.48) P2RX7ALDH1A1TRPV1SMN1; SMN2MAPT
SCHEMBL2243530 0.88 TRPV1 (0.45) P2RX7TRPV1SMN1; SMN2MAPTKCNQ2
SCHEMBL2242730 0.86 ROCK2 (0.42) P2RX7ALDH1A1TRPV1SMN1; SMN2MAPT
SCHEMBL2242647 0.85 ALDH1A1 (0.46) P2RX3P2RX7ALDH1A1SMN1; SMN2MAPT
SCHEMBL2243251 0.84 MEN1 (0.41) P2RX3P2RX7ALDH1A1SMN1; SMN2MAPT
SCHEMBL2243003 0.83 TRPV1 (0.45) P2RX7TRPV1
SCHEMBL2242997 0.83 TRPV1 (0.45) P2RX7TRPV1
SCHEMBL2242765 0.82 TRPV1 (0.49) ALDH1A1TRPV1SMN1; SMN2MAPTCDK9

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-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US claimed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B P2RX3 293/4885P2RX7 466/4885ALDH1A1 2103/4885

“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.