SCHEMBL20249124

SCHEMBL20249124

CN(C)C1CCN(Cc2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
GPR119 Q8TDV5 4/20 0.47
PARP1 P09874 4/20 0.42
PPARD Q03181 1/20 0.41
PARP2 Q9UGN5 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
TNKS O95271 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 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
SCHEMBL20249249 0.85 PPARD (0.43) KCNH2GPR119PPARDJAK2JAK1
SCHEMBL20249121 0.83 ALDH1A1 (0.52) KCNH2GPR119PPARDKMT2ACYP2D6
SCHEMBL18291574 0.82 PARP1 (0.44) KCNH2GPR119PARP1PARP2TNKS
SCHEMBL20249125 0.81 HRH3 (0.45) KCNH2GPR119PPARDKMT2AHRH3
SCHEMBL20249106 0.81 LTA4H (0.46) KCNH2GPR119PARP1PPARDPARP2
SCHEMBL20249175 0.81 OPRM1 (0.43) KCNH2GPR119PPARDJAK2JAK1
SCHEMBL12673217 0.81 HRH3 (0.50) PPARDHRH3
SCHEMBL18291711 0.81 MAP4K4 (0.44) KCNH2GPR119PARP1PARP2TNKS
SCHEMBL29475483 0.81 TRPV6 (0.51) KCNH2GPR119PARP1PARP2TNKS
SCHEMBL20255406 0.81 DRD2 (0.45) KCNH2GPR119PARP1PARP2TNKS

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 KCNH2 3160/4885GPR119 2218/4885PARP1 819/4885

“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.