SCHEMBL4936010

SCHEMBL4936010

COc1cc(C=Cc2ccc3ccc(C#N)c(O)c3n2)cc(NC(C)=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 9/20 0.57
▸ CLK1 P49759 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL4936017 0.78 ALDH1A1 (0.42) PIM1ALDH1A1KMT2AMEN1HPGD
SCHEMBL29696924 0.70 PIM1 (1.00) PIM1CLK1DYRK2KMT2AMEN1
SCHEMBL4934423 0.70 PIM1 (1.00) PIM1CLK1DYRK2KMT2AMEN1
SCHEMBL14115818 0.70 PIM1 (1.00) PIM1CLK1DYRK2KMT2AMEN1
SCHEMBL3858305 0.70 PIM1 (0.62) PIM1CLK1DYRK2KMT2AMEN1
SCHEMBL13539285 0.69 PIM1 (0.69) PIM1CLK1DYRK2AGTR1KMT2A
SCHEMBL16148661 0.68 EGFR (0.54) ALDH1A1KMT2AMEN1MAPT
SCHEMBL16148658 0.68 EGFR (0.54) ALDH1A1KMT2AMEN1MAPT
SCHEMBL3861928 0.67 MEN1 (0.47) PIM1CLK1DYRK2AGTR1ALDH1A1
SCHEMBL27118919 0.66 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US claimed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — WO claimed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US disclosed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 PIM1 1303/4885CLK1 1729/4885DYRK2 3555/4885

“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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