SCHEMBL13838550

SCHEMBL13838550

Nc1ccc(-c2cc(Oc3ncccn3)ccc2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.48
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ MPO P05164 1/20 0.43
▸ TPO P07202 1/20 0.43
▸ EPX P11678 1/20 0.43
▸ LPO P22079 1/20 0.43
▸ FFAR4 Q5NUL3 2/20 0.42
▸ CDK8 P49336 5/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MINK1 Q8N4C8 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL7924141 0.86 BACE1 (0.46) LTA4HMPOTPOEPXLPO
SCHEMBL13838332 0.81 FEN1 (0.48) MEN1KMT2AAPAF1ALOX5APFEN1
SCHEMBL13838428 0.78 MAP4K4 (0.53) LTA4HMPOTPOEPXLPO
SCHEMBL4496859 0.75 MAP4K4 (0.57) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL13838412 0.73 PIK3CD (0.50) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL8238854 0.72 NOS3 (0.50) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL1915601 0.71 USP7 (0.58) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL2814348 0.69 NPBWR1 (0.53) FFAR4PIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL2816869 0.69 CHEK2 (0.50) LTA4HPIK3CDMAP4K4CYP1A2KCNH2
SCHEMBL2816478 0.69 MAP4K4 (0.43) LTA4HCDK8PIK3CDMAP4K4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 — — US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 — — US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 — — US disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — 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 (3 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-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 LTA4H 69/4885MEN1 4034/4885KMT2A 4123/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 LTA4H 69/4885MEN1 4034/4885KMT2A 4123/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 LTA4H 69/4885MEN1 4034/4885KMT2A 4123/4885

“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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