SCHEMBL2205192

SCHEMBL2205192

COc1c(C2CCNCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.50
HTR1A P08908 6/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
MAPT P10636 2/20 0.41
HTR6 P50406 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL6367939 0.92 HTR2C (0.41) HTR2CSLC6A2SLC6A4TDP1ALDH1A1
SCHEMBL28092503 0.90 TDP1 (0.46) HTR2CMAPTTDP1ALDH1A1MAPK1
SCHEMBL8748376 0.81 HTR2C (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2233411 0.79 HTR2C (0.63) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5584542 0.76 HTR2C (0.73) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27812820 0.76 HTR2C (0.58) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3536567 0.76 HTR2C (0.50) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5020033 0.75 HTR1A (0.67) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19703133 0.75 HTR2C (0.57) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL358770 0.75 TDP1 (0.61) MAPTTDP1ALDH1A1

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
CN-101827848-B 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 2012-11-07 CN disclosed
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
CN-101827848-A 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer SMITHKLINE BEECHAM CORP 2010-09-08 CN 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 HTR2C 1445/4885HTR1A 1439/4885SLC6A2 4620/4885

“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.