SCHEMBL20249183

SCHEMBL20249183

CN(Cc1ccc(C(C)(C)C)nc1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRIA2 P42262 1/20 0.38
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CCR9 P51686 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL10223603 0.80 CHRNB2 (0.44) ALDH1A1TSHRCCR9LMNAGAA
SCHEMBL20037613 0.79 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AGRIA2HPGD
SCHEMBL20037822 0.78 GRIA2 (0.36) ALDH1A1MEN1KMT2AGRIA2HPGD
SCHEMBL18291420 0.78 GABRP (0.45) ALDH1A1MEN1KMT2AGRIA2SMN1; SMN2
SCHEMBL21267701 0.76 KMT2A (0.36) ALDH1A1MEN1KMT2AGRIA2MAPT
SCHEMBL18291549 0.75 GRIA2 (0.38) ALDH1A1MEN1KMT2AGRIA2SMN1; SMN2
SCHEMBL20249193 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGRIA2MAPT
SCHEMBL12673011 0.75 TAS2R14 (0.48) TAS2R14
SCHEMBL12169353 0.75 KCNH2 (0.43) ALDH1A1GRIA2LMNAACHENR1H3
SCHEMBL3063325 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGRIA2HPGD

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 944/4885MEN1 2609/4885KMT2A 670/4885

“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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