SCHEMBL17664288

SCHEMBL17664288

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ P4HB P07237 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ BRAF P15056 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ TNNI3K Q59H18 2/20 0.44
▸ MAOB P27338 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MPL P40238 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ FBP1 P09467 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL17664328 0.90 KDR (0.40) L3MBTL1BRAFKDRMAPK14TNNI3K
SCHEMBL19403858 0.81 KMT2A (0.47) L3MBTL1P4HBMEN1KMT2ANPSR1
SCHEMBL17664299 0.80 HTT (0.60) L3MBTL1P4HBMEN1KMT2ANPSR1
SCHEMBL17664185 0.79 KDR (0.67) MEN1KMT2ALMNAMAPTBRAF
SCHEMBL17664301 0.78 KDM4E (0.57) L3MBTL1P4HBMEN1KMT2ANPSR1
SCHEMBL17664313 0.78 MAPT (0.64) L3MBTL1MEN1KMT2ANPSR1LMNA
SCHEMBL17664330 0.78 MEN1 (0.46) L3MBTL1P4HBMEN1KMT2ANPSR1
SCHEMBL17664221 0.74 NPC1 (0.56) L3MBTL1MEN1KMT2ANPSR1LMNA
SCHEMBL22441786 0.74 MEN1 (0.60) L3MBTL1MEN1KMT2ANPSR1LMNA
SCHEMBL22441714 0.74 MEN1 (0.57) L3MBTL1MEN1KMT2ANPSR1LMNA

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 L3MBTL1 2324/4885P4HB 1492/4885MEN1 1148/4885

“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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