SCHEMBL12428896

SCHEMBL12428896

COCCN(C)CC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
MVD P53602 1/20 0.38
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MLYCD O95822 1/20 0.30

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
SCHEMBL16501738 0.82 KMT2A (0.44) PIK3CDMVDKCNQ3KCNQ2MEN1
SCHEMBL31158105 0.82 BLM (0.33) KCNQ3KCNQ2MLYCD
SCHEMBL13596207 0.78 TSHR (0.31)
SCHEMBL31158146 0.78 CHRM2 (0.32) KCNQ3KCNQ2MLYCD
SCHEMBL26382115 0.78 HSD11B1 (0.34) KMT2A
SCHEMBL25039557 0.77 PIK3CD (0.38) PIK3CDMVDKCNQ3KCNQ2MEN1
SCHEMBL12465555 0.77 MVD (0.58) PIK3CDMVD
SCHEMBL12735153 0.77 PIK3CD (0.45) PIK3CDMVDMEN1KMT2A
SCHEMBL26508547 0.77 CA12 (0.43)
SCHEMBL15623091 0.75 MEN1 (0.48) PIK3CDMVDKCNQ3KCNQ2MEN1

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
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
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 PIK3CD 631/4885MVD 1641/4885KCNQ3 4327/4885

“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.