SCHEMBL20249106

SCHEMBL20249106

CC(C)(C)c1ccc(CN2CCC(C(C)(C)O)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARD Q03181 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MCHR1 Q99705 1/20 0.39
PIK3CD O00329 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
CCR9 P51686 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL20249121 0.86 ALDH1A1 (0.52) LTA4HKCNH2KMT2APPARDGPR119
SCHEMBL20037800 0.85 LTA4H (0.47) LTA4HHRH1KCNH2KMT2AJAK2
SCHEMBL20249249 0.85 PPARD (0.43) LTA4HKCNH2KMT2APPARDJAK2
SCHEMBL20037796 0.84 LTA4H (0.46) LTA4HHRH1KCNH2KMT2AJAK2
SCHEMBL20249125 0.84 HRH3 (0.45) LTA4HKCNH2KMT2APPARDGPR119
SCHEMBL18291692 0.84 PIK3CA (0.47) LTA4HHRH1KCNH2KMT2AJAK2
SCHEMBL20249111 0.82 S1PR5 (0.51) LTA4HKCNH2KMT2APPARDGPR119
SCHEMBL20037683 0.82 LTA4H (0.45) LTA4HHRH1KCNH2KMT2AJAK2
SCHEMBL20249418 0.81 ALDH1A1 (0.47) LTA4HKCNH2KMT2AGPR119MEN1
SCHEMBL20249175 0.81 OPRM1 (0.43) LTA4HKCNH2KMT2APPARDJAK2

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 2 patents. 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
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 LTA4H 3374/4885HRH1 2405/4885KCNH2 3160/4885

“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.