SCHEMBL20249172

SCHEMBL20249172

C[C@H]1COC[C@H](C)N1Cc1ccc(C(C)(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.35
INSR P06213 1/20 0.33
ITK Q08881 1/20 0.33
RET P07949 1/20 0.33
KCNH2 Q12809 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
PPARD Q03181 1/20 0.31
IDH1 O75874 2/20 0.31
MOGAT2 Q3SYC2 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL20037820 0.81 GRM2 (0.38) GRM2ALDH1A1
SCHEMBL2233826 0.79 GRM2 (0.38) GRM2ALDH1A1INSRITK
SCHEMBL18291601 0.79 DRD2 (0.41) GRM2ALDH1A1
SCHEMBL2233831 0.79 DRD2 (0.41) GRM2ALDH1A1
SCHEMBL20255421 0.79 GRM2 (0.38) GRM2ALDH1A1INSRITK
SCHEMBL20037598 0.77 MTOR (0.39) GRM2ALDH1A1
SCHEMBL20249358 0.76 TRPV6 (0.42) RETPPARD
SCHEMBL171824 0.75 KMT2A (0.43) ALDH1A1HRH3
SCHEMBL20154478 0.74 RET (0.42) CCR9ALDH1A1RETPPARDMOGAT2
SCHEMBL27896110 0.74 GRM2 (0.35) GRM2

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 CCR9 2183/4885GRM2 3074/4885ALDH1A1 944/4885

“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.