SCHEMBL4972117

SCHEMBL4972117

CC(O)CNc1ccc2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
APP P05067 1/20 0.38
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CDK8 P49336 1/20 0.33
CXCR2 P25025 1/20 0.33
AXL P30530 1/20 0.33
NUDT1 P36639 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK10 P53779 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL12225026 0.74 APP (0.42) ALDH1A1APPCDK8AXLNUDT1
SCHEMBL4975612 0.73 APP (0.39) APPAXLNUDT1BRD4
SCHEMBL16991362 0.72 RAB9A (0.43) KDM4EALDH1A1SMN1; SMN2MKNK1MKNK2
SCHEMBL15509231 0.72 RAB9A (0.43) KDM4EALDH1A1SMN1; SMN2MKNK1MKNK2
SCHEMBL12205185 0.71 NCF1 (0.47) APPCDK8AXLNUDT1BRD4
SCHEMBL12128989 0.70 APP (0.56) MKNK1MKNK2APPCSNK2A1CDK8
SCHEMBL4970181 0.70 NPSR1 (0.41) APPAXLNUDT1BRD4
SCHEMBL4973928 0.70 HCAR3 (0.40) KDM4EALDH1A1SMN1; SMN2APPAXL
SCHEMBL416304 0.70 RAB9A (0.46) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4979021 0.70 NCF1 (0.45) APPCDK8AXLNUDT1BRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS KDM4E 2250/4885ALDH1A1 326/4885SMN1; SMN2 2119/4885

“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.