SCHEMBL22360751

SCHEMBL22360751

O=Nc1ccc(-n2cnc3ccccc32)nc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 2/20 0.47
ROCK1 Q13464 1/20 0.46
ORAI1 Q96D31 1/20 0.44
FGFR1 P11362 4/20 0.43

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
SCHEMBL28167261 0.78 HTT (0.62) POLBMAPTRAB9AHTTROCK1
SCHEMBL20603971 0.76 POLB (0.60) POLBMAPTRAB9AHTTROCK1
SCHEMBL30419394 0.76 POLB (0.60) POLBMAPTRAB9AHTTROCK1
SCHEMBL10549917 0.76 FGFR1 (0.57) POLBMAPTRAB9AHTTROCK1
SCHEMBL17265639 0.75 POLB (0.58) POLBMAPTRAB9AHTTROCK1
SCHEMBL22360756 0.75 RAB9A (0.56) POLBMAPTRAB9AHTT
SCHEMBL31241183 0.75 POLB (0.67) POLBMAPTRAB9AHTTROCK1
SCHEMBL19459554 0.74 ALDH1A1 (0.60) POLBMAPTRAB9AHTTFGFR1
SCHEMBL17077632 0.74 MAPT (0.74) POLBMAPTRAB9AHTTORAI1
SCHEMBL10552778 0.73 POLB (0.55) POLBMAPTRAB9AHTTROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 US disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 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-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 POLB 3040/4885MAPT 3670/4885RAB9A 1219/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 POLB 3040/4885MAPT 3670/4885RAB9A 1219/4885

“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.