SCHEMBL20249459

SCHEMBL20249459

CC(C)(C)c1ccc(C2CCN(C(C)(C)C(=O)O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TP53 P04637 1/20 0.36
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
CCR9 P51686 3/20 0.35
MAPK14 Q16539 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
USP5 P45974 3/20 0.34
MLYCD O95822 1/20 0.34
NAMPT P43490 2/20 0.33
QDPR P09417 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
SCHEMBL20037442 0.85 TNKS (0.41) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20038275 0.84 KDM4E (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20249131 0.82 QDPR (0.52) DDB1CRBNQDPRWNT3A
SCHEMBL20249476 0.82 TLR9 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL17998801 0.80 QDPR (0.45) TP53HRH3QDPR
SCHEMBL20249487 0.80 TRPC6 (0.40) KDM4ETP53MAPK14TRPC6
SCHEMBL15604151 0.79 KDM4E (0.39) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20249182 0.78 ESR2 (0.46) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL38655185 0.77 KDM4E (0.46) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20249132 0.77 TP53 (0.48) HTTKMT2ASMN1; SMN2TP53

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 1 patent. 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

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 KDM4E 470/4885GLA 3430/4885HTT 3754/4885

“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.