SCHEMBL20249122

SCHEMBL20249122

CC(=O)N(Cc1ccc(C(C)(C)C)nc1)CC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.41
▸ MLYCD O95822 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ CNR1 P21554 2/20 0.35
▸ MTOR P42345 3/20 0.34
▸ RPTOR Q8N122 2/20 0.34
▸ MLST8 Q9BVC4 2/20 0.34
▸ RICTOR Q6R327 1/20 0.34
▸ MAPKAP1 Q9BPZ7 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ PIK3CA P42336 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
SCHEMBL18291749 0.84 GABRP (0.40) RORCSLC2A1
SCHEMBL20037816 0.84 SLC2A1 (0.35) RORCSLC2A1
SCHEMBL20249138 0.82 OXTR (0.46) —
SCHEMBL20249136 0.82 OXTR (0.46) —
SCHEMBL20249118 0.80 CNR2 (0.40) CNR2RORCCNR1GCK
SCHEMBL20249193 0.72 ALDH1A1 (0.45) CNR2
SCHEMBL20249152 0.68 SLC6A2 (0.36) CNR2CNR1
SCHEMBL18291578 0.67 POLB (0.50) —
SCHEMBL18291592 0.67 POLB (0.50) —
SCHEMBL21400325 0.66 HDAC1 (0.55) —

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 CNR2 2055/4885MLYCD 3683/4885RORC 516/4885

“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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