SCHEMBL2205764

SCHEMBL2205764

COc1cc(N2CCC(N3CC[C@@H](F)C3)CC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 11/20 0.51
▸ ALK Q9UM73 4/20 0.46
▸ INSR P06213 2/20 0.46
▸ PLK1 P53350 2/20 0.42
▸ GRK2 P25098 1/20 0.41
▸ GRK5 P34947 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ EML4 Q9HC35 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40

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
SCHEMBL2204911 1.00 IGF1R (0.51) IGF1RALKINSRPLK1GRK2
SCHEMBL2205196 0.91 IGF1R (0.60) IGF1RALKINSRPLK1EGFR
SCHEMBL2205361 0.88 IGF1R (0.49) IGF1RALKINSRPLK1GRK2
SCHEMBL2209131 0.88 IGF1R (0.50) IGF1RALKINSRPLK1MAPK10
SCHEMBL2205784 0.88 IGF1R (0.50) IGF1RALKINSRPLK1MAPK10
SCHEMBL2205134 0.87 IGF1R (0.65) IGF1RALKINSRPLK1EGFR
SCHEMBL2208501 0.86 IGF1R (0.53) IGF1RALKINSRPLK1EGFR
SCHEMBL2205759 0.86 IGF1R (0.49) IGF1RALKINSRGRK2GRK5
SCHEMBL2206324 0.86 IGF1R (0.54) IGF1RALKGRK2GRK5MAPK10
SCHEMBL2203994 0.86 IGF1R (0.66) IGF1RALKINSRMAPK10MAPK8

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 IGF1R 1/4885ALK 285/4885INSR 17/4885

“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.

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