SCHEMBL18502870

SCHEMBL18502870

CC1CCC(c2cnnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.51
▸ GPR119 Q8TDV5 11/20 0.46
▸ DDB1 Q16531 2/20 0.45
▸ CRBN Q96SW2 2/20 0.45
▸ CHRNA7 P36544 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ ACHE P22303 1/20 0.40

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 0.81 GPR119 (0.43) GPR119DDB1CRBNCHRNA7MAPT
SCHEMBL17207602 0.78 GPR119 (0.47) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL24964189 0.75 GPR119 (0.61) GPR119DDB1CRBNMAPTCKS1B
SCHEMBL18502899 0.75 CYP11B2 (0.52) CYP11B2GPR119MAPTCKS1BSKP1
SCHEMBL18502952 0.73 CYP11B2 (0.52) CYP11B2GPR119MAPTCKS1BSKP1
SCHEMBL10297496 0.72 GPR119 (0.55) GPR119MAPTCKS1BSKP1SKP2
SCHEMBL17207585 0.72 CYP11B2 (0.59) CYP11B2GPR119MAPTCKS1BSKP1
SCHEMBL30395474 0.72 GPR119 (0.56) GPR119DDB1CRBNCKS1BSKP1
SCHEMBL29029935 0.72 GPR119 (0.56) GPR119DDB1CRBNCKS1BSKP1
SCHEMBL25299830 0.72 BTK (0.49) —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
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 (3 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885GPR119 664/4885DDB1 2906/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885GPR119 611/4885DDB1 3009/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885GPR119 664/4885DDB1 2906/4885

“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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