SCHEMBL20249170

SCHEMBL20249170

CC(C)(C)c1ccc(CN2CCOCC2(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.43
GRM2 Q14416 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CCR9 P51686 3/20 0.36
GRM5 P41594 3/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KCNJ1 P48048 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PPARD Q03181 1/20 0.31
KCNH2 Q12809 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL18291391 0.83 PDE1B (0.47) PDE1BGRM2JAK2JAK1GRM5
SCHEMBL20037928 0.82 PDE1B (0.46) PDE1BGRM2JAK2JAK1GRM5
SCHEMBL18291608 0.82 PDE1B (0.44) PDE1BGRM2JAK2JAK1GRM5
SCHEMBL20037606 0.81 PDE1B (0.46) PDE1BGRM2JAK2JAK1GRM5
SCHEMBL2739651 0.78 HRH3 (0.51) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL20249173 0.74 HRH3 (0.49) PDE1BALDH1A1LMNAMAPTKCNJ1
SCHEMBL20249525 0.73 ALDH1A1 (0.36) CCR9ALDH1A1LMNAMAPTMEN1
SCHEMBL6132960 0.73 JAK2 (0.44) PDE1BGRM2JAK2JAK1ALDH1A1
SCHEMBL16852703 0.72 CYP3A4 (0.36) PDE1BGRM2JAK2JAK1ALDH1A1
SCHEMBL20249207 0.72 CYP11B2 (0.40) GRM2JAK2CCR9

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 PDE1B 1496/4885GRM2 3074/4885JAK2 29/4885

“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.