SCHEMBL6072869

SCHEMBL6072869

NC(=O)c1cc(Oc2ccc3c(c2)CCN3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 2/20 0.42
RAF1 P04049 4/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
LCK P06239 3/20 0.40
P2RX3 P56373 1/20 0.39
BRAF P15056 2/20 0.38
NNMT P40261 1/20 0.38
MAPK14 Q16539 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL6072600 0.84 KDR (0.55) RAF1BRAFMAPK14
SCHEMBL6072019 0.77 KDR (0.53) RAF1BRAFMAPK14
SCHEMBL14553221 0.77 HRH3 (0.44) HRH3DRD2DRD4BRAF
SCHEMBL3183236 0.76 DRD2 (0.47) HRH3DRD2DRD4LCK
SCHEMBL4369342 0.75 PARP10 (0.54) CYP4F2CYP4A11RAF1P2RX3BRAF
SCHEMBL30832847 0.75 DRD2 (0.50) HRH3DRD2DRD4
SCHEMBL177841 0.75 PARP10 (0.54) RAF1P2RX3BRAFOPRK1KCNH2
SCHEMBL23913769 0.74 P2RX3 (0.53) HRH3RAF1P2RX3
SCHEMBL29757282 0.74 P2RX3 (0.53) HRH3RAF1P2RX3
SCHEMBL6273015 0.74 RAF1 (0.50) HRH3RAF1P2RX3BRAFOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO 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 (2 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 HRH3 854/4885CYP4F2 801/4885CYP4A11 1161/4885
US-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A HRH3 198/4885CYP4F2 116/4885CYP4A11 41/4885

“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.