SCHEMBL9983287

SCHEMBL9983287

CCSc1nc(=O)n(C(C)C)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CTSB P07858 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HPGD P15428 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9155883 0.81 POLB (0.36) ALDH1A1L3MBTL1MAPTHPGDMEN1
SCHEMBL11853813 0.79 POLB (0.35) ALDH1A1L3MBTL1MAPTHPGDMEN1
SCHEMBL15015816 0.73 CYP1A2 (0.40) CYP1A2CTSBSMN1; SMN2KDM4CALDH1A1
SCHEMBL11849363 0.72 HTT (0.39) CYP1A2ALDH1A1KMT2AHSD17B10TSHR
SCHEMBL12045841 0.71 POLB (0.39) CYP1A2ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11616050 0.68 ALDH1A1 (0.41) CYP1A2SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL11844153 0.67 POLB (0.36) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL11837510 0.66 POLB (0.35) ALDH1A1LMNAMAPTMAPK1HPGD
Dimethylamine SCHEMBL11879381 0.63 POLB (0.33) ALDH1A1MAPTPOLB
SCHEMBL22071806 0.63 LMNA (0.59) SMN1; SMN2KDM4CALDH1A1L3MBTL1LMNA

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 16 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-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
EP-2604595-B1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY SHIONOGI & CO (JP) 2016-03-16 — — EP 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
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2013-07-04 — — US disclosed
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2013-07-04 — — US disclosed
EP-2604595-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY Shionogi&Co., Ltd. (JP) 2013-06-19 — — EP disclosed
EP-2604595-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY Shionogi&Co., Ltd. (JP) 2013-06-19 — — EP 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
EP-2399910-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-12-28 — — EP disclosed
EP-2399910-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-12-28 — — EP 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-20160185736-A1 NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 CYP1A2 476/4885CTSB 2084/4885SMN1; SMN2 4746/4885
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 CYP1A2 487/4885CTSB 2237/4885SMN1; SMN2 4754/4885
US-20130172317-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME P2RX3, P2RX4, P2RX2 CYP1A2 770/4885CTSB 1571/4885SMN1; SMN2 3614/4885

“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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