SCHEMBL20647667

SCHEMBL20647667

O=Nc1cnc(-n2c(-c3cscn3)nc3ccccc32)nc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.54
METAP1 P53582 1/20 0.54
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL17681622 0.81 METAP1 (0.52) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL19459417 0.78 METAP2 (0.51) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL19483216 0.76 METAP2 (0.49) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL7764042 0.72 METAP2 (0.58) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL9622853 0.71 METAP2 (0.68) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL6233509 0.71 METAP2 (1.00) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL9622169 0.71 METAP2 (0.68) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL17681607 0.70 METAP1 (0.50) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL19459289 0.70 KDM4E (0.46) METAP2METAP1KDM4EHSD17B10MAPT
SCHEMBL2610128 0.70 KDM4E (0.67) METAP2METAP1KDM4EHSD17B10MAPT

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 4 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
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 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 (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-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK METAP2 1354/4885METAP1 2131/4885KDM4E 1722/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 METAP2 1805/4885METAP1 2623/4885KDM4E 2013/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 METAP2 1805/4885METAP1 2623/4885KDM4E 2013/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 METAP2 2081/4885METAP1 2428/4885KDM4E 695/4885

“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.