SCHEMBL20255451

SCHEMBL20255451

Ic1ccc(N2CCN(C3COC3)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
HRH3 Q9Y5N1 8/20 0.37
RET P07949 1/20 0.34
CYP1A2 P05177 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PIK3CD O00329 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
CNR2 P34972 1/20 0.32
MAPT P10636 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
SCHEMBL20255468 0.83 HRH3 (0.49) OGAHRH3CYP1A2
SCHEMBL10289476 0.81 ALDH1A1 (0.41) OGAHRH3RETPIM1PIM3
SCHEMBL16427146 0.81 HRH3 (0.37) HRH3RETCYP1A2PIM1PIM3
SCHEMBL24375229 0.81 PIK3CA (0.41) HRH3RETCYP1A2PIK3CDPIM1
SCHEMBL20249354 0.78 KDM4E (0.36) OGAHRH3RETPIM1PIM3
SCHEMBL10255064 0.78 TLR9 (0.37) OGAHRH3RETTLR9TLR8
SCHEMBL17547050 0.77 HTR3E (0.58) HRH3PIM1PIM3PIM2
SCHEMBL807738 0.76 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL12177825 0.75 SLC6A7 (0.43) HRH3PIM1PIM3PIM2
SCHEMBL19497344 0.74 ENPP2 (0.38)

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 OGA 4627/4885HRH3 2304/4885RET 577/4885

“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.