SCHEMBL20249402

SCHEMBL20249402

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HRH3 Q9Y5N1 2/20 0.34
LMNA P02545 2/20 0.34
GALR3 O60755 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ENPP2 Q13822 2/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
WEE1 P30291 1/20 0.32
KCNH2 Q12809 2/20 0.32
DRD3 P35462 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
SCHEMBL20249369 0.86 ALDH1A1 (0.38) HRH3LMNAGALR3TSHRHTT
SCHEMBL18291351 0.85 TLR8 (0.39) TLR8TLR7LMNALRRK2ENPP2
SCHEMBL20038395 0.84 TLR8 (0.38) TLR8TLR7HRH3LMNALRRK2
SCHEMBL20249309 0.81 GAA (0.37) HRH3LMNAGALR3TSHRHTT
SCHEMBL20249326 0.81 AR (0.36) HRH3LMNAGALR3TSHRHTT
SCHEMBL20249319 0.81 DRD3 (0.35) HRH3LMNAGALR3TSHRHTT
SCHEMBL20249342 0.80 PARP1 (0.35) HRH3PPARDPPARAPARP1PARP2
SCHEMBL20249300 0.79 PIK3CD (0.43) HRH3PARP1PARP2NPC1RAB9A
SCHEMBL20249366 0.78 ALDH1A1 (0.36) HRH3LMNATSHRPPARDPPARA
SCHEMBL20249115 0.76 SLC6A2 (0.42) TLR7HRH3LMNAGALR3TSHR

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 TLR8 2343/4885TLR7 903/4885HRH3 2304/4885

“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.