SCHEMBL3887038

SCHEMBL3887038

O=C(O)c1c(Br)cncc1Nc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 1/20 0.47
▸ HTT P42858 3/20 0.45
▸ P4HTM Q9NXG6 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ AURKA O14965 2/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ FABP4 P15090 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
SCHEMBL3893018 0.91 CXCL8 (0.40) CXCL8HTTP4HTMKDM4EAURKA
SCHEMBL3896811 0.85 HTT (0.42) CXCL8HTTKDM4ERAB9ANPC1
SCHEMBL14392325 0.84 CXCL8 (0.46) CXCL8HTTP4HTMKDM4EAURKA
SCHEMBL15630485 0.74 KDM4E (0.54) CXCL8HTTP4HTMKDM4EAURKA
SCHEMBL5488826 0.73 HCAR2 (0.39) HTTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31184770 0.73 HCAR2 (0.39) HTTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15645118 0.72 HCAR2 (0.38) HTTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9128060 0.72 KDM4E (0.58) CXCL8HTTP4HTMKDM4EAURKA
SCHEMBL3884629 0.71 CDC7 (0.41) CXCL8HTTKDM4ERAB9ANPC1
SCHEMBL4061073 0.71 HCAR2 (0.46) HTTKDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121996-A Novel heteroaryl-substituted arylaminopyridine derivatives as mek inhibitors SERONO LAB 2013-05-29 — — CN disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 — — EP disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 — — 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 CXCL8 2011/4885HTT 4456/4885P4HTM 2357/4885

“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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