SCHEMBL13968136

SCHEMBL13968136

Cc1ccc(-c2cc(-c3ccc(C(=O)NC4CC4)cc3)cnc2N)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.70
▸ BMPR1B O00238 6/20 0.58
▸ BMPR1A P36894 6/20 0.58
▸ ACVRL1 P37023 6/20 0.58
▸ ACVR1 Q04771 6/20 0.58
▸ TGFBR1 P36897 5/20 0.58
▸ MAP4K4 O95819 5/20 0.53
▸ USP7 Q93009 1/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ CCNC P24863 1/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ MAPK12 P53778 1/20 0.52
▸ MAPK11 Q15759 1/20 0.52
▸ MINK1 Q8N4C8 1/20 0.49
▸ TNIK Q9UKE5 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL2225948 0.85 FYN (0.76) FYNBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL18613238 0.83 FYN (1.00) FYNBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL4621190 0.82 FYN (0.80) FYNTGFBR1CHEK2
SCHEMBL13968129 0.80 MAP4K4 (0.80) FYNMAP4K4USP7CHEK2
SCHEMBL2224862 0.80 CHEK2 (0.72) FYNMAP4K4CHEK2
SCHEMBL4622807 0.80 FYN (0.65) FYNBMPR1BBMPR1AACVRL1ACVR1
SCHEMBL13968131 0.80 MAP4K4 (0.54) FYNMAP4K4MAPK14MINK1TNIK
SCHEMBL13968133 0.78 KCNH2 (0.75) FYNMAP4K4PIK3C3
SCHEMBL5427032 0.78 HDAC1 (0.62) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL13968145 0.78 BMPR1B (0.58) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3839/4885BMPR1B 4852/4885BMPR1A 4833/4885

“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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