SCHEMBL21645147

SCHEMBL21645147

FC(F)(F)c1ncc(Br)c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ HSP90AA1 P07900 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ TNF P01375 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
SCHEMBL11910994 0.76 KDM4E (0.52) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL3710953 0.74 KMT2A (0.54) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL29456440 0.74 KMT2A (0.54) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL3381245 0.73 KDM4E (0.49) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL21645154 0.73 KDM4E (0.49) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL18980400 0.73 L3MBTL1 (0.50) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL3380627 0.73 MEN1 (0.58) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL29601934 0.71 ENPP3 (0.43) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL1336101 0.71 ENPP3 (0.43) KMT2AKDM4EMEN1HTTHSP90AA1
SCHEMBL3628380 0.70 SLC40A1 (0.49) KMT2AKDM4EMEN1HTTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 — — US disclosed
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 — — EP disclosed
CN-112513024-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2021-03-16 — — CN disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 — — WO disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 — — WO 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KMT2A 1065/4885KDM4E 1906/4885MEN1 4681/4885

“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.

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