Sugi Predict

Sugi Predict / Compounds / SCHEMBL12428934

SCHEMBL12428934

SCHEMBL12428934

CC(C)(C)C(=O)CCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CHRM5 P08912 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CXCR4 P61073 2/20 0.37
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35

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
SCHEMBL21099785 0.86 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9283986 0.82 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL2013094 0.80 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL16261366 0.80 PAOX (0.48) SMN1; SMN2POLBALDH1A1MAPTLMNA
SCHEMBL803688 0.80 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL25162249 0.78 GLA (0.50) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL12138555 0.78 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL17068270 0.78 PKM (0.45) MEN1KMT2ASMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL2009643 0.78 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL7111499 0.78 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ACHRM5CHRM3

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 4 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-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 SIGMAR1 3096/4885MEN1 860/4885KMT2A 1947/4885

“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.