SCHEMBL462640

SCHEMBL462640

O=c1[nH]c2ccc(OC(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 5/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KIF11 P52732 1/20 0.51
CES1 P23141 1/20 0.46
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR3 P46089 1/20 0.42
DAO P14920 1/20 0.41
GRIA1 P42261 2/20 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
SCHEMBL3036012 0.89 KDM4E (0.54) MAPTESR2HSD17B10KDM4ECRHBP
SCHEMBL13467573 0.78 HSD17B10 (0.63) MAPTESR2HSD17B10KDM4EGRIN2D
SCHEMBL22185223 0.77 KDM4E (0.55) MAPTKDM4ECRHBPCRHR2KIF11
SCHEMBL7030752 0.76 KDM4E (0.60) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL7033184 0.76 KIF11 (0.58) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL3780885 0.75 MAPT (0.53) MAPTKDM4ECRHBPCRHR2KIF11
SCHEMBL29456231 0.75 MAPT (0.53) MAPTKDM4ECRHBPCRHR2KIF11
SCHEMBL14475117 0.75 KDM4E (0.45) MAPTKDM4ECRHBPCRHR2KIF11
SCHEMBL830358 0.75 KDM4E (0.50) MAPTKDM4ECRHBPCRHR2KIF11
SCHEMBL22185381 0.75 KDM4E (0.53) MAPTHSD17B10KDM4ECRHBPCRHR2

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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (5 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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 MAPT 2313/4885ESR2 2761/4885HSD17B10 4582/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 MAPT 2456/4885ESR2 2787/4885HSD17B10 4598/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ESR2 2282/4885HSD17B10 3443/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ESR2 2282/4885HSD17B10 3443/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ESR2 2282/4885HSD17B10 3443/4885

“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.