SCHEMBL16628855

SCHEMBL16628855

Sc1nc(S)nc(Nc2ccc(Nc3ccccc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
ALOX12 P18054 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR2B P41595 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
NFKB1 P19838 2/20 0.53
KDM4E B2RXH2 1/20 0.53
KCNH3 Q9ULD8 3/20 0.48
NPY5R Q15761 1/20 0.47

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
SCHEMBL1152315 0.96 MAPT (0.57) MAPK1ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL1151631 0.94 MAPT (0.55) MAPK1ALDH1A1HSD17B10ALOX15TSHR
SCHEMBL29528529 0.94 MAPT (0.55) MAPK1ALDH1A1HSD17B10ALOX15TSHR
SCHEMBL11364527 0.94 MAPT (0.55) MAPK1ALDH1A1HSD17B10ALOX15TSHR
SCHEMBL11223213 0.91 MEN1 (0.63) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18123046 0.84 MEN1 (0.71) MAPK1ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL16628856 0.84 MEN1 (0.46) MAPK1ALDH1A1HSD17B10ALOX12L3MBTL1
SCHEMBL23643384 0.83 KCNH3 (0.55) L3MBTL1KCNH3RECQLMCL1CYP1A2
SCHEMBL11225942 0.82 MEN1 (0.48) MAPK1ALDH1A1ALOX15TSHRMAPT
SCHEMBL23264222 0.82 KCNH3 (0.49) MAPK1ALDH1A1ALOX15TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101743-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2023-03-30 US claimed
EP-4087837-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF Musc Foundation for Research Development (US) 2022-11-16 EP claimed
US-20230101743-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2023-03-30 US disclosed
EP-4087837-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF Musc Foundation for Research Development (US) 2022-11-16 EP disclosed
WO-2021141984-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2021-07-15 WO disclosed
EP-3505522-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2020-10-14 EP disclosed
US-10385076-B2 Surface treatment agent and novel compound Mori, Kunio (JP) 2019-08-20 US disclosed
EP-3505522-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2019-07-03 EP disclosed
EP-2859962-B1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND MORI KUNIO (JP) 2019-01-23 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
EP-2859962-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-04-15 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 (4 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET MAPK1 4235/4885ALDH1A1 963/4885HSD17B10 2459/4885
US-20230101743-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF PCSK9, SLC10A1, CYP3A5 MAPK1 2752/4885ALDH1A1 866/4885HSD17B10 95/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM MAPK1 3835/4885ALDH1A1 841/4885HSD17B10 3305/4885
US-10385076-B2 Surface treatment agent and novel compound EPCAM, MET, ITGAM MAPK1 3835/4885ALDH1A1 841/4885HSD17B10 3305/4885

“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.