SCHEMBL18502880

SCHEMBL18502880

CNC1CCN(Cc2cnc(C)[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
HRH1 P35367 1/20 0.44
TLR9 Q9NR96 9/20 0.42
TLR7 Q9NYK1 9/20 0.42
TLR8 Q9NR97 8/20 0.42
POLB P06746 1/20 0.39
MLNR O43193 1/20 0.38
GHSR Q92847 1/20 0.38
GNRHR P30968 1/20 0.38
KCNH2 Q12809 1/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
CXCR4 P61073 1/20 0.34

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
SCHEMBL18269457 0.83 ALDH1A1 (0.48) CYP11B2HRH4HRH1TLR9TLR7
SCHEMBL18263328 0.82 HRH1 (0.46) CYP11B2HRH4HRH1TLR9TLR7
SCHEMBL20257927 0.79 TLR9 (0.47) CYP11B2HRH4HRH1TLR9TLR7
SCHEMBL4623759 0.75 HRH3 (0.51) HRH4DRD2CXCR4
SCHEMBL17207709 0.71 ACHE (0.35) HRH4POLB
SCHEMBL18234746 0.71 ALDH1A1 (0.51) POLB
SCHEMBL17207712 0.70 HRH4 (0.36) HRH4HRH1POLB
SCHEMBL14045124 0.69 HTR2A (0.46) TLR9TLR7TLR8MLNRGHSR
SCHEMBL2708549 0.69 HRH4 (0.67) HRH4HRH1
SCHEMBL4649155 0.69 ALOX15 (0.65) HRH4KCNH2

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 5 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
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 19/4885HRH4 1347/4885HRH1 1009/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885HRH4 1292/4885HRH1 1117/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885HRH4 1347/4885HRH1 1009/4885

“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.