SCHEMBL5020443

SCHEMBL5020443

C/C(=N\OCCCc1cccc(-c2nc(C)cc(C)n2)n1)c1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
TGFBR1 P36897 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
P2RX7 Q99572 1/20 0.32
PPARG P37231 6/20 0.32
PPARA Q07869 6/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FFAR1 O14842 2/20 0.31
KCNH2 Q12809 1/20 0.31
CCR1 P32246 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL5020347 0.94 TGFBR1 (0.36) HSP90AA1TGFBR1HKDC1DUSP3PTPN11
SCHEMBL5020366 0.89 CCR1 (0.41) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020365 0.89 CCR1 (0.35) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020377 0.89 HSP90AA1 (0.34) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020444 0.89 NPC1 (0.36) HSP90AA1HKDC1DUSP3PTPN11P2RX7
SCHEMBL5020348 0.88 TGFBR1 (0.34) TGFBR1PPARGPPARAFFAR1
SCHEMBL5020219 0.86 CCR1 (0.34) HSP90AA1HKDC1P2RX7CCR1CCR8
SCHEMBL5020229 0.85 TGFBR1 (0.34) TGFBR1FFAR1CCR1CCR8
SCHEMBL10289685 0.85 CCR1 (0.33) HSP90AA1CCR1CCR8
SCHEMBL5020302 0.85 KCNH2 (0.36) HSP90AA1KCNH2CCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 HSP90AA1 1228/4885TGFBR1 1875/4885HKDC1 2245/4885

“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.