SCHEMBL2206560

SCHEMBL2206560

COc1cc(C2CCCN(C)C2)ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.51
▸ CCNT1 O60563 14/20 0.48
▸ CDK9 P50750 14/20 0.48
▸ GRK2 P25098 1/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ TNK2 Q07912 1/20 0.43
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ TTK P33981 1/20 0.39

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
SCHEMBL2204456 0.92 IGF1R (0.46) IGF1RCCNT1CDK9GRK2GRK5
Gsk-1173862A SCHEMBL2206397 0.87 IGF1R (0.68) IGF1RCCNT1CDK9GRK2GRK5
SCHEMBL2206249 0.87 IGF1R (0.50) IGF1RCCNT1CDK9GRK2GRK5
SCHEMBL2207800 0.86 ALK (0.46) IGF1RCCNT1CDK9TNK2
SCHEMBL2204780 0.84 IGF1R (0.56) IGF1RGRK2GRK5PARP1TTK
Gsk-1326255A SCHEMBL2205722 0.82 IGF1R (0.67) IGF1RCCNT1CDK9GRK2GRK5
SCHEMBL2203561 0.81 IGF1R (0.50) IGF1RCCNT1CDK9PARP1
SCHEMBL2205730 0.80 IGF1R (0.52) IGF1RGRK2GRK5
SCHEMBL2209276 0.80 IGF1R (0.56) IGF1RCCNT1CDK9GRK2GRK5
SCHEMBL2207511 0.80 IGF1R (0.49) IGF1RCCNT1CDK9GRK2GRK5

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 1/4885CCNT1 430/4885CDK9 216/4885

“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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