SCHEMBL17664330

SCHEMBL17664330

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ P4HB P07237 2/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40

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
SCHEMBL19403858 0.83 KMT2A (0.47) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664299 0.80 HTT (0.60) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664301 0.78 KDM4E (0.57) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664313 0.78 MAPT (0.64) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664288 0.78 L3MBTL1 (0.47) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664340 0.73 MEN1 (0.55) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL18229945 0.72 MAPT (0.68) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664233 0.72 MLYCD (0.53) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664336 0.71 TRPV1 (0.52) MEN1KMT2ALMNAMAPTHSP90AA1
SCHEMBL17664221 0.70 NPC1 (0.56) MEN1KMT2ALMNAMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 — — 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG MEN1 1148/4885KMT2A 2159/4885LMNA 1997/4885

“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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