SCHEMBL2206718

SCHEMBL2206718

CCC(C)N1CCc2cc(OC)c([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
SIRT6 Q8N6T7 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL2203986 0.79 RAB9A (0.47) RAB9ATDP1KMT2AMEN1ALDH1A1
SCHEMBL2205530 0.78 MAOB (0.40) ALDH1A1MAPTL3MBTL1POLBABCB1
SCHEMBL2574136 0.77 SIRT6 (0.57) RAB9ATDP1KMT2AMEN1ALDH1A1
SCHEMBL2060652 0.75 TDP1 (0.51) RAB9ATDP1KMT2AMEN1ALDH1A1
SCHEMBL2061820 0.75 ALDH1A1 (0.58) RAB9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL2206626 0.74 MEN1 (0.53) RAB9AKMT2AMEN1LMNASIRT6
SCHEMBL2204643 0.74 HTR1A (0.41) RAB9ATDP1KMT2AMEN1POLB
SCHEMBL2203592 0.73 HTR1A (0.52) RAB9AKMT2AMEN1ALDH1A1LMNA
SCHEMBL2205322 0.73 HTR1A (0.50) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL2207115 0.73 HTR1A (0.50) RAB9AKMT2AMEN1ALDH1A1LMNA

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 RAB9A 2910/4885TDP1 2117/4885KMT2A 1947/4885

“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.