SCHEMBL21858366

SCHEMBL21858366

O=C(Nc1ccc(Br)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.72
DYRK1A Q13627 2/20 0.65
KMT2A Q03164 6/20 0.61
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 1/20 0.59
STAT1 P42224 1/20 0.59
MCL1 Q07820 1/20 0.59
ACP1 P24666 1/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
THRB P10828 1/20 0.59
LMNA P02545 2/20 0.57
RXFP1 Q9HBX9 1/20 0.56
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL6295875 0.93 CXCR2 (0.79) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL27093075 0.89 CXCR2 (0.72) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL26034880 0.89 CXCR2 (0.83) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL4909104 0.88 CXCR2 (0.76) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL18824178 0.86 DYRK1A (0.57) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL27094626 0.86 CXCR2 (0.69) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL26034876 0.84 CXCR2 (0.77) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL21858369 0.84 CXCR2 (1.00) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL26034882 0.84 CXCR2 (0.76) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2
SCHEMBL21858373 0.82 KMT2A (0.64) CXCR2DYRK1AKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271941-B Urea derivatives for the treatment and/or prophylaxis of cancer 法国国家科学研究中心 2024-09-20 CN claimed
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Institut National de la Santé et de la Recherche Médicale (FR) 2024-06-20 US claimed
EP-4322944-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Centre National de la Recherche Scientifique (FR) 2024-02-21 EP claimed
WO-2022219123-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-20 WO claimed
US-20210380547-A1 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-09 US claimed
WO-2020079184-A2 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-04-23 WO claimed
CN-113271941-B Urea derivatives for the treatment and/or prophylaxis of cancer 法国国家科学研究中心 2024-09-20 CN disclosed
US-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Institut National de la Santé et de la Recherche Médicale (FR) 2024-06-20 US disclosed
EP-4322944-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA Centre National de la Recherche Scientifique (FR) 2024-02-21 EP disclosed
WO-2022219123-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-20 WO disclosed
US-20210380547-A1 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-09 US disclosed
CN-113271941-A Urea derivatives for the treatment and/or prevention of cancer 法国国家科学研究中心 2021-08-17 CN disclosed
WO-2020079184-A2 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-04-23 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 (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-20240199562-A1 UREA DERIVATIVES FOR TREATING UVEAL MELANOMA UACA, SLC14A1, MITF CXCR2 3902/4885DYRK1A 4119/4885KMT2A 2613/4885
US-20210380547-A1 UREA DERIVATIVES FOR TREATING AND/OR PREVENTING CANCER CXCR1, CXCR2, CXCR6 CXCR2 2/4885DYRK1A 3903/4885KMT2A 3423/4885

“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.