SCHEMBL2227774

SCHEMBL2227774

COc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCCC4)cc3)cnc2N)cn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.67
KCNH2 Q12809 5/20 0.61
BMPR1B O00238 1/20 0.56
BMPR1A P36894 1/20 0.56
TGFBR1 P36897 1/20 0.56
ACVRL1 P37023 1/20 0.56
ACVR1 Q04771 1/20 0.56
MET P08581 1/20 0.55
POLB P06746 1/20 0.53
ATR Q13535 4/20 0.51
FYN P06241 1/20 0.50
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
IKBKB O14920 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
SCHEMBL2225332 0.92 CD274 (0.81) CD274KCNH2BMPR1BBMPR1ATGFBR1
SCHEMBL13968145 0.87 BMPR1B (0.58) CD274BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2225432 0.83 KCNH2 (0.56) CD274KCNH2FYN
SCHEMBL2225323 0.79 KCNH2 (0.63) KCNH2FYN
SCHEMBL13968137 0.79 CD274 (0.62) CD274BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2225948 0.79 FYN (0.76) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL24318089 0.76 BMPR1B (0.69) CD274BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13837104 0.76 KCNH2 (1.00) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2224203 0.76 CHEK2 (0.77) KCNH2FYN
SCHEMBL2224592 0.76 MAP4K4 (0.77) KCNH2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP claimed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US claimed
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
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-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
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
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 CD274 2734/4885KCNH2 1101/4885BMPR1B 4852/4885

“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.