SCHEMBL2225829

SCHEMBL2225829

CN1CCN(c2ccc(-c3cc(-c4ccc(O)cc4)cnc3N)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 1.00
USP7 Q93009 2/20 0.65
LCK P06239 1/20 0.58
HCK P08631 1/20 0.58
SRC P12931 1/20 0.58
KDR P35968 1/20 0.58
TGFBR1 P36897 4/20 0.57
MAP4K4 O95819 1/20 0.55
MINK1 Q8N4C8 1/20 0.55
TNIK Q9UKE5 1/20 0.55
ACVR1 Q04771 2/20 0.53
RPS6KA3 P51812 1/20 0.53
KCNH2 Q12809 1/20 0.52

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
SCHEMBL18613336 1.00 FYN (1.00) FYNUSP7LCKHCKSRC
SCHEMBL2228058 0.87 FYN (0.77) FYNUSP7LCKHCKSRC
SCHEMBL2225805 0.83 FYN (0.71) FYNLCKHCKSRCKDR
SCHEMBL18613685 0.83 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL20485719 0.83 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL30521825 0.83 FYN (1.00) FYNTGFBR1ACVR1
SCHEMBL4620360 0.82 FYN (0.69) FYNTGFBR1ACVR1
SCHEMBL24681351 0.81 FYN (0.68) FYNTGFBR1ACVR1KCNH2
SCHEMBL29914507 0.81 FYN (0.67) FYNTGFBR1ACVR1RPS6KA3
SCHEMBL24680820 0.81 FYN (0.67) FYNTGFBR1ACVR1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
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
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN 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
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed
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-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN 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
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 FYN 3839/4885USP7 4381/4885LCK 1939/4885

“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.