SCHEMBL3854039

SCHEMBL3854039

NCc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.49
▸ SLC6A4 P31645 2/20 0.39
▸ USP28 Q96RU2 1/20 0.38
▸ USP25 Q9UHP3 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALPL P05186 2/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29439695 1.00 CCR5 (0.49) CCR5SLC6A4USP28USP25CYP2A6
SCHEMBL31717270 0.86 EPHX2 (0.40) CCR5SLC6A4CYP2A6HRH4MAOA
SCHEMBL2261248 0.86 EPHX2 (0.40) CCR5SLC6A4CYP2A6HRH4MAOA
Hydrochloric Acid SCHEMBL3713980 0.84 EPHX2 (0.40) CCR5SLC6A4CYP2A6HRH4MAOA
Hydrochloric Acid SCHEMBL31717834 0.84 EPHX2 (0.40) CCR5SLC6A4CYP2A6HRH4MAOA
SCHEMBL3853386 0.84 SLC6A4 (0.40) CCR5SLC6A4USP28USP25TDP1
SCHEMBL3372357 0.82 PTGDR2 (0.53) CCR5SLC6A4USP28USP25TDP1
SCHEMBL30468149 0.81 SLC6A4 (0.38) SLC6A4USP28USP25TDP1ALDH1A1
SCHEMBL18543262 0.80 MPO (0.44) SLC6A4EPHX2
SCHEMBL20303640 0.79 USP28 (0.44) SLC6A4USP28USP25MAPK1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 — — US disclosed
US-20260008757-A1 N-(3-(AMINOMETHYL)-PHENYL)-5-(4-PHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BASF SE (DE) 2026-01-08 — — US disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 — — EP disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 — — EP disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 — — US disclosed
WO-2024061665-A1 N-(3-(AMINOMETHYL)-PHENYL)-5-(4-PHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BASF SE (DE) 2024-03-28 — — WO disclosed
EP-4342885-A1 N-(3-(AMINOMETHYL)-PHENYL)-5-(4-PHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES BASF SE (DE) 2024-03-27 — — EP disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 — — US disclosed
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 — — US disclosed
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 — — US disclosed
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — US disclosed
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 — — WO disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 — — US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 — — US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 — — US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 — — US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 — — US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 — — WO disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 — — 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 (9 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CCR5 1516/4885SLC6A4 4835/4885USP28 1986/4885
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ CCR5 2019/4885SLC6A4 4574/4885USP28 3588/4885
US-20230080834-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB CCR5 1516/4885SLC6A4 4835/4885USP28 1986/4885
US-20260008757-A1 N-(3-(AMINOMETHYL)-PHENYL)-5-(4-PHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES HCN1, HCN3, HTR3C CCR5 696/4885SLC6A4 727/4885USP28 4473/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB CCR5 1516/4885SLC6A4 4835/4885USP28 1986/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK CCR5 1221/4885SLC6A4 4833/4885USP28 1815/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG CCR5 449/4885SLC6A4 4806/4885USP28 2795/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE CCR5 1703/4885SLC6A4 4842/4885USP28 1993/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK CCR5 1023/4885SLC6A4 1623/4885USP28 557/4885

“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.

Send feedback