SCHEMBL2240751

SCHEMBL2240751

COc1cccc2c1C(Nc1ccc3c(NC(=O)Cc4cc(F)cc(F)c4)cccc3n1)CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
P2RX7 Q99572 2/20 0.36
P2RX3 P56373 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
C5AR1 P21730 1/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1B P49286 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
SCHEMBL2243251 0.94 MEN1 (0.41) MEN1KMT2APOLBP2RX7P2RX3
SCHEMBL2242647 0.89 ALDH1A1 (0.46) MEN1KMT2ACDK5P2RX7P2RX3
SCHEMBL2241554 0.88 ALDH1A1 (0.46) KCNH2MEN1KMT2APOLBP2RX7
SCHEMBL2243530 0.85 TRPV1 (0.45) P2RX7SMN1; SMN2GALR3HTTRAB9A
SCHEMBL2238868 0.85 PARP1 (0.40) P2RX7SMN1; SMN2GALR3HTTRAB9A
SCHEMBL2241453 0.84 SMN1; SMN2 (0.50) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL2242783 0.82 CYP2C19 (0.48) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL1616597 0.81 MAP2K4 (0.38) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2243012 0.81 P2RX3 (0.43) MEN1KMT2APOLBCDK5P2RX7
SCHEMBL2243123 0.79 TRPV1 (0.45) POLBP2RX7SMN1; SMN2GALR3HTT

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 MC4R 304/4885KCNH2 1324/4885MEN1 4083/4885

“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.