SCHEMBL18502868

SCHEMBL18502868

CC1CC=C(c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.53
▸ CRBN Q96SW2 1/20 0.53
▸ CHRNA7 P36544 1/20 0.52
▸ ACHE P22303 2/20 0.51
▸ GPR119 Q8TDV5 10/20 0.50
▸ MAPT P10636 1/20 0.46
▸ PTPN11 Q06124 1/20 0.45
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL17207658 0.84 GPR119 (0.43) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL18791108 0.80 CKS1B (0.48) DDB1CRBNGPR119CKS1BSKP1
SCHEMBL3274585 0.78 ACHE (0.66) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL25232441 0.76 ACHE (0.58) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL15286547 0.76 ACHE (0.62) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL3651086 0.76 ACHE (0.57) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL3268895 0.75 ACHE (0.57) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL1433109 0.75 ACHE (0.61) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL30166226 0.75 ACHE (0.61) DDB1CRBNCHRNA7ACHEGPR119
SCHEMBL19015403 0.75 ACHE (0.61) DDB1CRBNCHRNA7ACHEGPR119

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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 DDB1 3009/4885CRBN 1402/4885CHRNA7 3925/4885

“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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