SCHEMBL13499867

SCHEMBL13499867

O=Cc1cccc2c1cnn2S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ PABPC1 P11940 1/20 0.32

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
SCHEMBL12217744 0.79 ALDH1A1 (0.43) MEN1KMT2ALMNATHRBBLM
SCHEMBL14308854 0.73 — —
SCHEMBL18620057 0.71 RECQL (0.54) LMNATDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL1015826 0.70 HTR6 (0.56) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL19048450 0.70 SLC9A1 (0.40) MEN1KMT2AALDH1A1IMPDH2
SCHEMBL31632873 0.69 CCR1 (0.46) LMNATDP1ALDH1A1KDM4ENPC1
SCHEMBL31305878 0.67 MAP2K4 (0.39) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4245330 0.66 MEN1 (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL31364630 0.66 HTT (0.43) MEN1KMT2ALMNAALDH1A1IMPDH2
SCHEMBL1253598 0.63 ALDH1A1 (0.59) MEN1KMT2ALMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF MEN1 1372/4885KMT2A 2168/4885LMNA 3186/4885

“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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