SCHEMBL20249152

SCHEMBL20249152

CC(C)(C)c1ccc(CN(C2CCOC2)S(C)(=O)=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ AVPR1B P47901 1/20 0.36
▸ CNR2 P34972 4/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ PER2 O15055 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PLK4 O00444 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
SCHEMBL18291418 0.84 SLC6A2 (0.37) SLC6A2SLC6A4KCNH2SLC6A3AVPR1B
SCHEMBL18291375 0.84 SLC6A2 (0.37) SLC6A2SLC6A4KCNH2SLC6A3AVPR1B
SCHEMBL20249118 0.77 CNR2 (0.40) CNR2CNR1
SCHEMBL20249183 0.72 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL20249120 0.71 ALDH1A1 (0.45) PER2MEN1KMT2A
SCHEMBL20249123 0.71 ALDH1A1 (0.45) PER2MEN1KMT2A
SCHEMBL20249122 0.68 CNR2 (0.41) CNR2CNR1
SCHEMBL10223603 0.65 CHRNB2 (0.44) KCNH2
SCHEMBL20249180 0.65 KMT2A (0.45) CNR2MEN1KMT2A
SCHEMBL20249513 0.64 PDE1B (0.49) CNR2MEN1KMT2A

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 SLC6A2 2659/4885SLC6A4 1825/4885KCNH2 3160/4885

“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.

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