SCHEMBL20249146

SCHEMBL20249146

CC(C)(C)c1ccc(C2CCNC(=O)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ ALDH2 P05091 1/20 0.40
▸ PKM P14618 1/20 0.36
▸ DDB1 Q16531 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAP3K12 Q12852 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ PDE4A P27815 5/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAP2K1 Q02750 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
SCHEMBL11916023 0.79 HTR2C (0.45) TLR8TLR7DDB1CRBN
SCHEMBL25045409 0.78 CHRNB2 (0.42) ALDH1A1
SCHEMBL30282840 0.78 CHRNB2 (0.42) ALDH1A1
SCHEMBL18291410 0.78 TLR8 (0.39) TLR8TLR7ALDH2PKMDDB1
SCHEMBL20037881 0.78 TLR8 (0.39) TLR8TLR7ALDH2PKMDDB1
SCHEMBL3282827 0.78 ALDH2 (0.46) TLR8TLR7ALDH2PKMDDB1
SCHEMBL15604151 0.77 KDM4E (0.39) DDB1CRBNALDH1A1
SCHEMBL20408750 0.76 ALDH2 (0.52) TLR8TLR7ALDH2PKMTSHR
SCHEMBL25669122 0.76 ALDH2 (0.52) TLR8TLR7ALDH2PKMTSHR
SCHEMBL22388847 0.74 SMN1; SMN2 (0.47) TSHRMAPK1ALDH1A1

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 1 patent. 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

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 TLR8 2343/4885TLR7 903/4885ALDH2 1737/4885

“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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