SCHEMBL6747447

SCHEMBL6747447

CSc1cc(-c2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.58
MIF P14174 1/20 0.53
KMO O15229 3/20 0.49
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HRH4 Q9H3N8 1/20 0.45
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL22063715 0.79 ASIC3 (0.56) ASIC3MIFKMOKMT2ANPC1
SCHEMBL284286 0.79 ASIC3 (0.71) ASIC3MIFKMOKMT2ANPC1
SCHEMBL28218682 0.77 ASIC3 (0.68) ASIC3MIFKMOKMT2ANPC1
SCHEMBL27904874 0.77 ASIC3 (0.68) ASIC3MIFKMOKMT2ANPC1
SCHEMBL29406194 0.77 ASIC3 (0.68) ASIC3MIFKMOKMT2ANPC1
SCHEMBL29730373 0.74 ASIC3 (0.65) ASIC3MIFKMOKMT2ANPC1
SCHEMBL17697185 0.74 ASIC3 (0.65) ASIC3MIFKMOKMT2ANPC1
SCHEMBL18731738 0.74 ASIC3 (0.65) ASIC3MIFKMOKMT2ANPC1
SCHEMBL30412356 0.74 ASIC3 (0.59) ASIC3MIFKMOKMT2ANPC1
SCHEMBL2129077 0.74 ASIC3 (0.59) ASIC3MIFKMOKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 US disclosed
US-6613773-B2 Pyrimidinyloxyphenyl-3-alkoxypropenoates derivatives SYNGENTA LIMITED (GB) 2003-09-02 US disclosed
US-20030060626-A1 Fungicides SYNGENTA LIMITED (GB) 2003-03-27 US disclosed
CN-1036519-C Fungicides ICI PLC (GB) 1997-11-26 CN disclosed
EP-0468695-B1 Fungicides ZENECA LTD (GB) 1996-09-11 EP disclosed
EP-0468695-A1 Fungicides ZENECA LIMITED (GB) 1992-01-29 EP 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 (2 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH ASIC3 972/4885MIF 4028/4885KMO 37/4885
US-20030060626-A1 Fungicides CYP51A1, CYP1A1, CYP1A2 ASIC3 2231/4885MIF 3360/4885KMO 215/4885

“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.