SCHEMBL2204889

SCHEMBL2204889

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 9/20 0.53
▸ ZAP70 P43403 1/20 0.46
▸ MAPK10 P53779 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ DCLK1 O15075 1/20 0.43
▸ MAPK7 Q13164 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ ALK Q9UM73 8/20 0.43
▸ INSR P06213 2/20 0.42
▸ EML4 Q9HC35 1/20 0.42
▸ PTK2 Q05397 1/20 0.41

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
SCHEMBL2202681 0.92 ZAP70 (0.55) IGF1RZAP70MAPK10MAPK8MAPK9
SCHEMBL2207593 0.92 IGF1R (0.51) IGF1RZAP70ALKINSREML4
SCHEMBL2205325 0.91 ALK (0.55) IGF1RALK
SCHEMBL2207868 0.90 IGF1R (0.51) IGF1RZAP70MAPK10MAPK8MAPK9
SCHEMBL2209116 0.90 IGF1R (0.64) IGF1RZAP70MAPK10MAPK8ALK
SCHEMBL2205134 0.85 IGF1R (0.65) IGF1RZAP70MAPK10MAPK8MAPK9
SCHEMBL2206442 0.84 IGF1R (0.44) IGF1RZAP70MAPK10MAPK8MAPK9
SCHEMBL2208501 0.84 IGF1R (0.53) IGF1RMAPK10MAPK8MAPK9ALK
SCHEMBL2205759 0.84 IGF1R (0.49) IGF1RZAP70MAPK10MAPK8MAPK9
SCHEMBL2205196 0.83 IGF1R (0.60) IGF1RZAP70MAPK10MAPK8MAPK9

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 1/4885ZAP70 2597/4885MAPK10 1958/4885

“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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