SCHEMBL2206099

SCHEMBL2206099

COc1cc(C2=CCCN(C(C)C)C2)ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 14/20 0.46
▸ PARP1 P09874 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ INSR P06213 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PIK3CG P48736 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34

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
SCHEMBL2207972 0.91 IGF1R (0.51) IGF1RALKMAPK8INSRMAPK10
SCHEMBL2207132 0.88 IGF1R (0.58) IGF1RPARP1DHODHALKMAPK8
SCHEMBL2203561 0.84 IGF1R (0.50) IGF1RPARP1DHODHAURKB
SCHEMBL2209116 0.84 IGF1R (0.64) IGF1RALKMAPK8INSRMAPK10
SCHEMBL2207511 0.84 IGF1R (0.49) IGF1RPARP1ALKMAPK8INSR
SCHEMBL2205692 0.82 IGF1R (0.48) IGF1RALK
SCHEMBL2203824 0.82 IGF1R (0.62) IGF1RALKMAPK8INSRAURKB
SCHEMBL2204845 0.81 IGF1R (0.54) IGF1RALKMAPK8INSRMAPK10
SCHEMBL2206429 0.81 IGF1R (0.68) IGF1RALKMAPK8INSRAURKB
SCHEMBL2202681 0.80 ZAP70 (0.55) IGF1RALKMAPK8INSRMAPK10

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 1/4885PARP1 319/4885DHODH 2110/4885

“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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