SCHEMBL20249409

SCHEMBL20249409

C[C@@H]1CNCCN1Cc1ccc(C(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FLT3 P36888 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
CCR9 P51686 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIM3 Q86V86 2/20 0.33
USP7 Q93009 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
KDM1A O60341 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 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
SCHEMBL20249415 1.00 ALDH1A1 (0.42) ALDH1A1FLT3MERTKGAS6CCR9
SCHEMBL18291385 0.83 ALDH1A1 (0.45) ALDH1A1FLT3MERTKGAS6KCNH2
SCHEMBL20255713 0.82 ALDH1A1 (0.44) ALDH1A1FLT3MERTKGAS6HRH3
SCHEMBL20038436 0.82 ALDH1A1 (0.44) ALDH1A1FLT3MERTKGAS6HRH3
SCHEMBL22030910 0.80 CHRNB2 (0.43) ALDH1A1FLT3MERTKGAS6JAK2
SCHEMBL20224126 0.78 CXCR4 (0.49) HRH3MEN1KMT2A
SCHEMBL20249411 0.75 RAD52 (0.40) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL20249422 0.75 RAD52 (0.40) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL28290433 0.75 KDM4E (0.55) HRH3TP53CYP2C9
SCHEMBL20249264 0.74 CXCR4 (0.58) HRH3MEN1KMT2A

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 ALDH1A1 944/4885FLT3 289/4885MERTK 1111/4885

“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.