SCHEMBL4115247

SCHEMBL4115247

COc1cccc2c1C(Nc1ccc3c(N)cccc3n1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.41
MCHR1 Q99705 1/20 0.40
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2905912 0.94 MCHR1 (0.39) PFKFB3MCHR1ADORA2AUSP2CYP1A2
SCHEMBL3412785 0.82 PFKFB3 (0.42) PFKFB3ADORA2AKDM4ETDP1
SCHEMBL1616147 0.78 MCHR1 (0.37) PFKFB3MCHR1KDM4EKMT2A
SCHEMBL1616568 0.77 ADRA1A (0.38) PFKFB3MCHR1KDM4EKMT2ACYP1A2
SCHEMBL1615734 0.77 PFKFB3 (0.39) PFKFB3KDM4EMEN1KMT2ATDP1
SCHEMBL3412191 0.76 HTR1A (0.42) PFKFB3ADORA2A
SCHEMBL1614383 0.76 KDM4E (0.36) PFKFB3MCHR1KDM4EKMT2A
SCHEMBL2243192 0.74 ACHE (0.42) PFKFB3MCHR1ADORA2AKDM4EMEN1
SCHEMBL1616695 0.74 ALDH1A1 (0.42) KDM4EMEN1KMT2A
SCHEMBL2240638 0.74 GID4 (0.37)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
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 PFKFB3 3988/4885MCHR1 223/4885ADORA2A 63/4885

“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.