SCHEMBL9928271

SCHEMBL9928271

CCNc1ncnc2[nH]cc(CN3CCC4(CC3)OCCO4)c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
JAK3 P52333 2/20 0.35
ALOX15 P16050 1/20 0.34
AKT1 P31749 4/20 0.33
PARP1 P09874 2/20 0.33
STK4 Q13043 2/20 0.32
STK3 Q13188 2/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL9898012 0.82 CHEK1 (0.40) LRRK2TSHRKDM4EALDH1A1GAA
SCHEMBL9928268 0.82 IRAK4 (0.43) IRAK4JAK3ALOX15AKT1
SCHEMBL9928270 0.80 ALOX15 (0.41) LRRK2IRAK4JAK3ALOX15AKT1
SCHEMBL9897735 0.76 EGFR (0.49) LRRK2
SCHEMBL9928266 0.73 IRAK4 (0.54) LRRK2IRAK4KDM4EJAK3AKT1
SCHEMBL9928265 0.70 IRAK4 (0.47) LRRK2IRAK4KDM4EJAK3STK4
SCHEMBL9928284 0.69 CHEK1 (0.42) LRRK2TSHRALOX15AKT1STK4
SCHEMBL9943097 0.68 EGFR (0.43) IRAK4HTTSTK4STK3
SCHEMBL9928304 0.68 DRD4 (0.43) TSHRKDM4EALOX15AKT1STK4
SCHEMBL9928264 0.67 STK4 (0.46) TSHRALOX15AKT1STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 LRRK2 458/4885IRAK4 1112/4885TSHR 178/4885

“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.