SCHEMBL2947748

SCHEMBL2947748

FC(F)(F)c1nc2ccccc2n2ccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.53
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA2A P29274 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 2/20 0.38
RAD51 Q06609 1/20 0.38

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
SCHEMBL169235 0.76 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL120846 0.76 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL31746758 0.76 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL30578099 0.76 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL13131265 0.76 PTPN2 (0.59) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11417540 0.73 MAPK8 (0.55) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL25299727 0.72 ADORA2A (0.53) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11469700 0.72 ABCG2 (0.51) MAPK8HPGDLMNAHTTNPC1
SCHEMBL15958608 0.72 HTR3E (0.53) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL8110850 0.72 MAPK8 (0.64) MAPK8HTR3EHTR3BHTR3AHTR3D

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-4229452-A Treatment of inflammatory disorders with 4-trifluoromethylimidazo[1,2-a]quinoxaline WESTWOOD PHARMACEUTICALS, INC. 1980-10-21 US claimed
US-4200750-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, ANTIBODY INHIBITORS WESTWOOD PHARMACEUTICALS INC. (US) 1980-04-29 US claimed
US-7750024-B2 Remedy for glioblastoma ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20050165009-A1 Remedy for glioblastoma ASTELLAS PHARMA INC. (JP) 2005-07-28 US disclosed
US-4229452-A Treatment of inflammatory disorders with 4-trifluoromethylimidazo[1,2-a]quinoxaline WESTWOOD PHARMACEUTICALS, INC. 1980-10-21 US disclosed
US-4229452-A Treatment of inflammatory disorders with 4-trifluoromethylimidazo[1,2-a]quinoxaline WESTWOOD PHARMACEUTICALS, INC. 1980-10-21 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 (1 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-20050165009-A1 Remedy for glioblastoma GRM2, GRM1, GRM3 MAPK8 2449/4885HTR3E 2291/4885HTR3B 2325/4885

“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.