SCHEMBL2226848

SCHEMBL2226848

Nc1ncc(Br)cc1-c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 7/20 0.54
▸ USP7 Q93009 4/20 0.53
▸ ACVR1 Q04771 2/20 0.51
▸ BMPR1A P36894 1/20 0.51
▸ TGFBR1 P36897 1/20 0.51
▸ ACVRL1 P37023 1/20 0.51
▸ ADORA1 P30542 1/20 0.49
▸ HSD17B1 P14061 3/20 0.47
▸ HSD17B2 P37059 3/20 0.47
▸ MAP4K4 O95819 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ RPS6KA5 O75582 1/20 0.46
▸ RET P07949 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ PRKACA P17612 1/20 0.46

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
SCHEMBL19721378 0.85 KMT2A (0.47) FYNUSP7MAP4K4HTTKMT2A
SCHEMBL2228665 0.83 USP7 (0.71) FYNUSP7TGFBR1MAP4K4MINK1
SCHEMBL15359055 0.81 USP7 (0.60) FYNUSP7MAP4K4PLK4ROCK2
SCHEMBL12516853 0.81 ADORA1 (0.49) FYNUSP7ACVR1ADORA1MAP4K4
SCHEMBL29857829 0.81 CHEK2 (0.53) FYNUSP7MAP4K4HTTKMT2A
SCHEMBL29857982 0.81 ADORA1 (0.49) FYNUSP7ACVR1ADORA1MAP4K4
SCHEMBL26917180 0.81 CHEK2 (0.53) FYNUSP7MAP4K4HTTKMT2A
SCHEMBL27699378 0.80 FYN (0.49) FYNUSP7MAP4K4HTTKMT2A
SCHEMBL29582616 0.79 CHEK2 (0.55) FYNUSP7MKNK2HTTKMT2A
SCHEMBL26916929 0.79 CHEK2 (0.55) FYNUSP7MKNK2HTTKMT2A

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
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
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

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 4381/4885ACVR1 4787/4885

“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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