SCHEMBL2222927

SCHEMBL2222927

Cc1ccc(-c2cc(Br)cnc2N)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ AKT1 P31749 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL17255919 0.80 KMT2A (0.65) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL2226830 0.80 FYN (0.43) KMT2AHTTMEN1POLBSHMT2
SCHEMBL2222921 0.77 USP7 (0.51) KMT2AHTTUSP7
SCHEMBL29857785 0.75 KMT2A (0.46) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL26916450 0.75 KMT2A (0.46) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL2386927 0.74 RAB9A (0.37) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL13968119 0.72 MAP4K4 (0.54) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL29857960 0.72 MAP4K4 (0.54) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL17203590 0.72 PIK3CB (0.48) KMT2AHTTMEN1NPC1ALDH1A1
SCHEMBL16685255 0.71 KMT2A (0.42) KMT2AHTTMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 — — US claimed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 — — WO claimed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 — — EP disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 — — US disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 — — US disclosed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 — — 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS QDPR, DHFR, ITPA KMT2A 1045/4885HTT 2973/4885MEN1 3482/4885

“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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