SCHEMBL2204845

SCHEMBL2204845

COc1cc(C2=CCCN(C)C2)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 10/20 0.54
▸ INSR P06213 4/20 0.43
▸ ALK Q9UM73 3/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ AURKB Q96GD4 3/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FER P16591 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42

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
SCHEMBL2205773 0.93 IGF1R (0.46) IGF1RINSRALKMAPK8AURKB
SCHEMBL2203561 0.92 IGF1R (0.50) IGF1RAURKBMAP4K1
SCHEMBL2203705 0.91 IGF1R (0.66) IGF1RINSRALKMAPK8AURKB
SCHEMBL2207972 0.91 IGF1R (0.51) IGF1RINSRALKMAPK8AURKB
SCHEMBL2207449 0.84 IGF1R (0.58) IGF1RINSRALKMAPK8AURKB
SCHEMBL2203440 0.84 IGF1R (0.57) IGF1RINSRALKMAPK8AURKB
SCHEMBL2206075 0.84 IGF1R (0.57) IGF1RINSRALKMAPK8AURKB
SCHEMBL2202712 0.84 IGF1R (0.57) IGF1RINSRALKMAPK8AURKB
SCHEMBL2207205 0.84 IGF1R (0.57) IGF1RINSRALKMAPK8AURKB
SCHEMBL2203824 0.83 IGF1R (0.62) IGF1RINSRALKMAPK8AURKB

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 1/4885INSR 17/4885ALK 285/4885

“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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