SCHEMBL18291377

SCHEMBL18291377

Cc1ccc(N2CCN(C=O)CC2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
ELANE P08246 1/20 0.38
GRM4 Q14833 1/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
AKR1C3 P42330 1/20 0.32
P2RX7 Q99572 5/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
DGAT1 O75907 2/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
HSD17B3 P37058 1/20 0.30

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
SCHEMBL20037590 0.84 MTOR (0.35) DRD3KCNH2CHRNB2CHRNA4AKR1C3
SCHEMBL20037981 0.83 DRD3 (0.33) DRD3KCNH2AKR1C3ALDH1A1GAA
SCHEMBL20249159 0.82 DRD3 (0.33) DRD3KCNH2AKR1C3
SCHEMBL14490258 0.81 DRD3 (0.51) DRD3KCNH2ELANEGRM4CHRNB2
SCHEMBL24179944 0.79 MAPT (0.50) DRD3KCNH2CHRNB2CHRNA4
SCHEMBL1727049 0.74 AKR1C3 (0.52) DRD3KCNH2AKR1C3ALDH1A1GAA
SCHEMBL18291667 0.74 DRD3 (0.48) DRD3KCNH2ELANEGRM4P2RX7
SCHEMBL18291670 0.74 DRD3 (0.48) DRD3KCNH2ELANEGRM4P2RX7
SCHEMBL20038349 0.73 KCNH2 (0.47) DRD3KCNH2ELANEGRM4P2RX7
SCHEMBL20255395 0.73 DRD3 (0.50) DRD3KCNH2ELANEGRM4P2RX7

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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO 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 DRD3 1769/4885KCNH2 3160/4885ELANE 4674/4885

“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.