SCHEMBL10155152

SCHEMBL10155152

COc1cc(N2CCN(CCF)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
ACVR1 Q04771 1/20 0.50
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.47
RAD52 P43351 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.46
DRD2 P14416 3/20 0.45
KCNH2 Q12809 1/20 0.45
HTR4 Q13639 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA2B P29275 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
PTK2B Q14289 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL13362032 0.90 HSD17B10 (0.52) HSD17B10GAARAD52SUV39H2DRD2
SCHEMBL310116 0.89 HTR4 (0.43) TGFBR1ACVR1HSD17B10GAARAD52
SCHEMBL311282 0.88 TGFBR1 (0.41) TGFBR1ACVR1
SCHEMBL310656 0.88 ALDH1A1 (0.46) TGFBR1ACVR1SUV39H2HTR4KDM4E
SCHEMBL310615 0.87 DRD2 (0.60) HSD17B10GAARAD52DRD2KCNH2
SCHEMBL14180545 0.87 GAA (0.48) HSD17B10GAARAD52SUV39H2DRD2
SCHEMBL310404 0.86 HTR4 (0.48) HSD17B10GAARAD52SUV39H2DRD2
SCHEMBL2234370 0.86 GAA (0.47) HSD17B10GAARAD52SUV39H2DRD2
SCHEMBL14180557 0.86 GAA (0.47) HSD17B10GAARAD52SUV39H2DRD2
SCHEMBL15358736 0.85 ALDH1A1 (0.53) HSD17B10GAARAD52KDM4EMAPT

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
WO-2015127873-A1 ARYLAMINO PYRAMIDINE COMPOUND AND APPLICATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 WO disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 TGFBR1 1228/4885ACVR1 1609/4885HSD17B10 3929/4885

“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.