SCHEMBL20900296

SCHEMBL20900296

N#Cc1ccc(C(CO)NC(=O)O)cc1-c1ncnn1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
EGLN2 Q96KS0 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31

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
SCHEMBL20900293 1.00 MAPK1 (0.36) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL21150349 0.87 EGLN2 (0.39) MAPK1EGLN2
SCHEMBL29640328 0.87 EGLN2 (0.39) MAPK1EGLN2
SCHEMBL20899949 0.84 MAPK1 (0.38) MAPK1
SCHEMBL20899950 0.84 MAPK1 (0.38) MAPK1
SCHEMBL30557360 0.82 EGLN2 (0.32) EGLN2P2RX3P2RX2
SCHEMBL20908251 0.82 EGLN2 (0.32) EGLN2P2RX3P2RX2
SCHEMBL20899894 0.82 EGLN2 (0.32) EGLN2P2RX3P2RX2
SCHEMBL28890370 0.80 MBOAT4 (0.31)
SCHEMBL28890369 0.80 MBOAT4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 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 (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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN MAPK1 228/4885JAK2 3347/4885JAK1 935/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MAPK1 228/4885JAK2 3347/4885JAK1 935/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MAPK1 228/4885JAK2 3347/4885JAK1 935/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MAPK1 357/4885JAK2 3412/4885JAK1 975/4885

“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.