SCHEMBL18502952

SCHEMBL18502952

CC(C)(C)OC(=O)N1CCN(c2nncc(-c3cc(F)ccc3F)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.52
▸ FAAH O00519 2/20 0.49
▸ GPR119 Q8TDV5 4/20 0.46
▸ LMNA P02545 2/20 0.44
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCNT1 O60563 2/20 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
▸ CDK9 P50750 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ IDO2 Q6ZQW0 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
SCHEMBL17207635 0.92 CYP11B2 (0.51) CYP11B2FAAHGPR119LMNASMARCA2
SCHEMBL18566765 0.78 CYP11B2 (0.66) CYP11B2FAAH
SCHEMBL18502899 0.78 CYP11B2 (0.52) CYP11B2GPR119MAPTSMN1; SMN2CKS1B
SCHEMBL17207585 0.78 CYP11B2 (0.59) CYP11B2GPR119MAPTSMN1; SMN2CKS1B
SCHEMBL3269713 0.77 FAAH (0.61) FAAHGPR119LMNASMARCA2SMARCA4
SCHEMBL20293573 0.76 GPR119 (0.58) GPR119LMNAMAPTSMN1; SMN2CCNT1
SCHEMBL22532774 0.75 SMN1; SMN2 (0.56) GPR119LMNAMAPTSMN1; SMN2TP53
SCHEMBL17207592 0.75 CYP11B2 (0.59) CYP11B2GPR119CKS1BSKP1SKP2
SCHEMBL3268897 0.75 CKS1B (0.48) FAAHGPR119LMNASMARCA2SMARCA4
SCHEMBL17207602 0.75 GPR119 (0.47) GPR119LMNAMAPTSMN1; SMN2CKS1B

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 19/4885FAAH 3402/4885GPR119 664/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885FAAH 3191/4885GPR119 611/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885FAAH 3402/4885GPR119 664/4885

“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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