SCHEMBL2207948

SCHEMBL2207948

COc1ccc(OCCCN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44

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
SCHEMBL1962847 0.89 KMT2A (0.49) ALDH1A1KDM4EGAAHPGDCHRNB2
SCHEMBL14038420 0.86 MAPT (0.55) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL25435452 0.83 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL2969839 0.83 PRMT5 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL1961769 0.82 CHRNB2 (0.57) ALDH1A1KDM4EGAAHPGDCHRNB2
SCHEMBL20982525 0.82 CHRNB2 (0.50) ALDH1A1KDM4ECHRNB2CHRNA4SMN1; SMN2
SCHEMBL2969471 0.82 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL14419364 0.81 MAPT (0.64) ALDH1A1KDM4ECHRNB2CHRNA4SMN1; SMN2
SCHEMBL30475456 0.80 ALDH1A1 (0.48) ALDH1A1GAAHPGDSMN1; SMN2MAPT
SCHEMBL20982687 0.80 CHRNB2 (0.48) ALDH1A1KDM4ECHRNB2CHRNA4SMN1; SMN2

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 5 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
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO 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 ALDH1A1 378/4885KDM4E 1487/4885GAA 2452/4885

“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.