SCHEMBL10057014

SCHEMBL10057014

CC(C)n1c(=O)nc(NC2CCN(C)CC2)n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 15/20 0.56
SSTR5 P35346 4/20 0.48
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45
EED O75530 1/20 0.45
USP2 O75604 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
HLA-A P04439 1/20 0.45
ERBB2 P04626 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL12046435 0.88 SSTR5 (0.64) P2RX3SSTR5KCNH2MEN1MLNR
SCHEMBL12046388 0.77 P2RX3 (0.83) P2RX3
SCHEMBL10529762 0.76 SSTR5 (0.78) SSTR5KCNH2MEN1MLNRCACNA1F
SCHEMBL12045840 0.75 P2RX3 (0.62) P2RX3
SCHEMBL4635524 0.75 SSTR5 (0.44) SSTR5KCNH2MEN1MLNRCACNA1F
SCHEMBL10056858 0.74 P2RX3 (0.74) P2RX3
SCHEMBL11480609 0.74 SSTR5 (0.57) SSTR5KCNH2MEN1MLNRCACNA1F
SCHEMBL12046390 0.73 P2RX3 (0.77) P2RX3
SCHEMBL10056851 0.73 P2RX3 (0.68) P2RX3
SCHEMBL17590244 0.73 P2RX3 (0.76) P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 US disclosed
US-9688643-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-06-27 US disclosed
US-9688643-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-06-27 US disclosed
US-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. 2016-06-30 US disclosed
US-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. 2016-06-30 US disclosed
US-9150546-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150546-B2 Triazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 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 (2 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-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 P2RX3 1/4885SSTR5 397/4885KCNH2 283/4885
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 P2RX3 1/4885SSTR5 499/4885KCNH2 265/4885

“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.