SCHEMBL2209599

SCHEMBL2209599

COc1ccc2c(c1)C[C@@H](C)N2C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
NOD1 Q9Y239 4/20 0.64
TNF P01375 3/20 0.64
NOD2 Q9HC29 3/20 0.64
NOTUM Q6P988 2/20 0.59
THRB P10828 1/20 0.54
POLB P06746 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PKLR P30613 1/20 0.51
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL12428954 1.00 LMNA (0.68) LMNANOD1TNFNOD2NOTUM
SCHEMBL2205547 1.00 LMNA (0.68) LMNANOD1TNFNOD2NOTUM
SCHEMBL7316200 0.83 NOTUM (0.51) LMNANOD1TNFNOD2NOTUM
SCHEMBL6805435 0.82 TNF (0.53) LMNANOD1TNFNOD2NOTUM
SCHEMBL1760527 0.82 LMNA (0.50) LMNANOD1TNFNOD2NOTUM
SCHEMBL225187 0.82 LMNA (0.50) LMNANOD1TNFNOD2NOTUM
SCHEMBL7316205 0.81 LMNA (0.49) LMNANOD1TNFNOD2NOTUM
SCHEMBL1760639 0.81 NOTUM (0.52) LMNANOD1TNFNOD2NOTUM
SCHEMBL26079156 0.80 NOTUM (0.64) NOD1TNFNOD2NOTUMTHRB
SCHEMBL21172770 0.80 NOTUM (0.62) LMNANOD1TNFNOD2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP 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
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 LMNA 4161/4885NOD1 4453/4885TNF 3826/4885

“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.