SCHEMBL2206637

SCHEMBL2206637

COc1ccc(OC[C@@H](O)CN(C)C)cc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2ccnc-2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 8/20 0.40
▸ CDK2 P24941 6/20 0.40
▸ IGF1R P08069 5/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ GRK2 P25098 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 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
SCHEMBL2209019 0.83 IGF1R (0.51) IGF1RMAPK8KDM4ESMN1; SMN2HSD17B10
SCHEMBL2203243 0.81 IGF1R (0.38) IGF1RKDM4ESMN1; SMN2CCNT1CDK9
SCHEMBL12429556 0.80 IGF1R (0.60) IGF1RMAPK8GRK2GRK5
SCHEMBL3696852 0.77 CDK4 (0.41) CDK4CDK2IGF1RMAPK8MAPK10
SCHEMBL2208098 0.74 IGF1R (0.53) IGF1RMAPK8MAPK10
SCHEMBL2204881 0.74 CDK2 (0.38) CDK2IGF1RMAPK8GRK5AURKA
Gsk-1326255A SCHEMBL2205722 0.74 IGF1R (0.67) IGF1RGRK2GRK5CCNT1CDK9
SCHEMBL3133732 0.73 IGF1R (0.46) IGF1RMAPK8GRK2GRK5KDM4E
SCHEMBL2205611 0.73 IGF1R (0.55) IGF1RMAPK8GRK2GRK5MAPK10
SCHEMBL2206666 0.73 GRK5 (0.51) CDK2IGF1RMAPK8GRK5KDM4E

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 CDK4 51/4885CDK2 57/4885IGF1R 1/4885

“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.

Send feedback