SCHEMBL20249115

SCHEMBL20249115

CN1CCN(c2ccc(C(C)(C)C)nc2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
NTRK1 P04629 2/20 0.35
CSF1R P07333 2/20 0.35
NTRK2 Q16620 2/20 0.35
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PDE7A Q13946 1/20 0.33
HTT P42858 2/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL20249308 0.82 HRH3 (0.38) DRD3KCNH2HRH3LMNATSHR
SCHEMBL20249159 0.82 DRD3 (0.33) DRD3KCNH2TSHRTP53
SCHEMBL20249309 0.82 GAA (0.37) L3MBTL1DRD3KCNH2HRH3HTT
SCHEMBL20249319 0.81 DRD3 (0.35) DRD3KCNH2HRH3HTTGALR3
SCHEMBL14490258 0.81 DRD3 (0.51) SLC6A2SLC6A4L3MBTL1DRD3KCNH2
SCHEMBL2820372 0.81 SLC6A2 (0.44) SLC6A2SLC6A4L3MBTL1DRD3KCNH2
SCHEMBL18291551 0.79 SLC6A2 (0.43) SLC6A2SLC6A4L3MBTL1DRD3KCNH2
SCHEMBL17207184 0.79 AKR1C3 (0.51) L3MBTL1HTTGALR3LMNATSHR
SCHEMBL20249300 0.79 PIK3CD (0.43) L3MBTL1DRD3KCNH2HRH3
SCHEMBL20249326 0.79 AR (0.36) L3MBTL1DRD3KCNH2ACVR1HRH3

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 SLC6A2 2659/4885SLC6A4 1825/4885L3MBTL1 3990/4885

“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.