SCHEMBL2205530

SCHEMBL2205530

CCC(C)N1CCc2cc(OC)c(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
SLC6A4 P31645 1/20 0.40
ABCB1 P08183 1/20 0.36
KLK7 P49862 1/20 0.35
CA7 P43166 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
SLC18A2 Q05940 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4D Q08499 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL2206718 0.78 RAB9A (0.43) ABCB1ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL2209646 0.76 MAOB (0.45) MAOBMAOASLC6A4ABCB1CA7
SCHEMBL19902425 0.75 NOTUM (0.50) DRD1DRD4DRD5TSHRHSD17B10
SCHEMBL19997276 0.75 DRD1 (0.49) DRD1DRD4DRD5TSHRKDM4E
SCHEMBL12428910 0.75 MEN1 (0.49) MAOBMAOASLC6A4CA7DRD1
SCHEMBL15651380 0.75 PDE4D (0.38) MAOBMAOASLC6A4CA7DRD1
SCHEMBL30727816 0.75 ATAD2 (0.47) SLC6A4DRD1KDM4EALDH1A1HSD17B10
SCHEMBL2632810 0.74 HTR2A (0.41) SLC6A4DRD1DRD5ADRA1DADRA1A
SCHEMBL2571297 0.73 MAOB (0.65) MAOBMAOASLC6A4ABCB1CA7
SCHEMBL27580531 0.72 POLB (0.37) MAOBMAOASLC6A4ABCB1CA7

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-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 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-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 MAOB 3468/4885MAOA 4131/4885SLC6A4 4351/4885

“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.