SCHEMBL13865810

SCHEMBL13865810

Cc1nn(-c2ccc(F)cc2)c2nc(C3CN(C(=O)NC4CCCCC4)C3)[nH]c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 6/20 0.51
PAX8 Q06710 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4521006 0.82 KHK (0.58) KHKNR3C1ALDH1A1HPGDHTT
SCHEMBL4512852 0.80 KHK (0.55) KHKSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4501430 0.80 USP2 (0.40) KHKLMNASMN1; SMN2NR3C1L3MBTL1
SCHEMBL4500604 0.80 KHK (0.48) KHKLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4596672 0.79 KHK (0.54) KHKNR3C1ALDH1A1HPGDHTT
SCHEMBL4521002 0.77 TSHR (0.49) NR3C1ALDH1A1HPGDTSHRNPSR1
SCHEMBL4507115 0.77 KHK (0.63) KHKLMNANR3C1ALDH1A1HPGD
SCHEMBL4512848 0.75 NPSR1 (0.42) KHKSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL4522989 0.75 KHK (0.60) KHKSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4511884 0.75 KHK (0.54) KHKALDH1A1HPGDHTT

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B KHK 3420/4885PAX8 3017/4885LMNA 1062/4885

“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.