SCHEMBL3063942

SCHEMBL3063942

CCOc1cc(Br)c(Br)c(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.59
▸ MEN1 O00255 11/20 0.59
▸ KMT2A Q03164 11/20 0.59
▸ LMNA P02545 8/20 0.59
▸ GAA P10253 5/20 0.55
▸ NPSR1 Q6W5P4 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PIKFYVE Q9Y2I7 1/20 0.50
▸ HTT P42858 5/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TEX264 Q9Y6I9 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL14291439 1.00 MAPT (0.59) MAPTMEN1KMT2ALMNAGAA
SCHEMBL14291437 0.87 MAPT (0.58) MAPTMEN1KMT2ALMNAGAA
SCHEMBL13091221 0.83 MAPT (0.60) MAPTMEN1KMT2ALMNAGAA
SCHEMBL3063944 0.81 MAPT (0.47) MAPTMEN1KMT2ALMNAGAA
SCHEMBL3063940 0.81 MAPT (0.47) MAPTMEN1KMT2ALMNAGAA
SCHEMBL22737807 0.74 MAPT (0.68) MAPTMEN1KMT2ALMNAGAA
SCHEMBL13942702 0.72 MAPT (0.54) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8238479 0.71 MAPT (0.61) MAPTMEN1KMT2ALMNAGAA
SCHEMBL22737384 0.71 MAPT (0.70) MAPTMEN1KMT2ALMNAGAA
SCHEMBL23345459 0.70 KMT2A (0.72) MAPTMEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 — — EP disclosed
US-8618110-B2 Compositions and methods for apoptosis modulators VM DISCOVERY INC. (US) 2013-12-31 — — US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — US disclosed
WO-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 — — 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD MAPT 2663/4885MEN1 4421/4885KMT2A 4533/4885

“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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