SCHEMBL5449781

SCHEMBL5449781

O=C(C#CCOC1CCCCO1)c1c(-c2ccc(F)cc2)nn2c(Cl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.45
MAPK14 Q16539 2/20 0.38
GRM5 P41594 1/20 0.35
GCK P35557 1/20 0.33
POLB P06746 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL5461774 0.82 RORC (0.40) RORCMAPK14GRM5GCKPOLB
SCHEMBL5464020 0.74 MAPK14 (0.51) RORCMAPK14GRM5
SCHEMBL5456866 0.68 MAPK14 (0.40) RORCMAPK14ALDH1A1HSD17B10L3MBTL1
SCHEMBL12100411 0.68 MEN1 (0.47) RORCGRM5GCKALDH1A1
SCHEMBL4807411 0.66 KMT2A (0.43) RORCGCKPOLBALDH1A1CYP1A2
SCHEMBL24167283 0.63 MEN1 (0.44) RORCGRM5GCKALDH1A1
SCHEMBL5458513 0.62 MAPK14 (0.48) MAPK14POLBALDH1A1CYP1A2CYP2C19
SCHEMBL14177817 0.62 MEN1 (0.36) RORCGRM5GCKL3MBTL1
SCHEMBL1738035 0.62 MEN1 (0.37) RORCGRM5GCKCYP1A2CYP3A4
SCHEMBL3149260 0.61 MEN1 (0.38) RORCGRM5GCKL3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 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 (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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 RORC 690/4885MAPK14 2533/4885GRM5 2749/4885

“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.