SCHEMBL20249383

SCHEMBL20249383

CC(C)(C)c1ccc2c(n1)CCN(C(=O)C1CCNCC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
KEAP1 Q14145 1/20 0.41
HDAC6 Q9UBN7 4/20 0.40
KCNH2 Q12809 4/20 0.40
GRM5 P41594 2/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20037463 0.82 KEAP1 (0.43) GABRG2GABRB3GABRA5KEAP1HDAC6
SCHEMBL21414370 0.82 GABRG2 (0.44) GABRG2GABRB3GABRA5KEAP1HDAC6
SCHEMBL20203431 0.82 KEAP1 (0.41) GABRG2GABRB3GABRA5KEAP1HDAC6
SCHEMBL28974312 0.79 NOTUM (0.39) GABRG2GABRB3GABRA5HDAC6KCNH2
SCHEMBL720638 0.79 HDAC6 (0.52) GABRG2GABRB3GABRA5KEAP1HDAC6
SCHEMBL23733465 0.78 GABRG2 (0.41) GABRG2GABRB3GABRA5KEAP1HDAC6
SCHEMBL14123398 0.78 CCR2 (0.44) KEAP1KCNH2
SCHEMBL18806154 0.78 NOTUM (0.41) GABRG2GABRB3GABRA5HDAC6KCNH2
SCHEMBL20249388 0.76 PDGFRB (0.39) GABRG2GABRB3GABRA5HDAC6MAPT
SCHEMBL18819906 0.76 CDK6 (0.40) GABRG2GABRB3GABRA5KCNH2ALDH1A1

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 GABRG2 4030/4885GABRB3 4474/4885GABRA5 3998/4885

“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.