SCHEMBL13865846

SCHEMBL13865846

Cc1nn(C2CCCCC2)c2nc(C3CN(C(=O)c4ccccc4)C3)[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 4/20 0.48
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2B P41595 1/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CFTR P13569 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 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
SCHEMBL13865892 0.94 HPGD (0.54) KHKHPGDALDH1A1HTTTSHR
SCHEMBL13865812 0.89 THRB (0.47) KHKHPGDALDH1A1TP53MAPK1
SCHEMBL13865887 0.87 KHK (0.48) KHKHPGDALDH1A1HTTTSHR
SCHEMBL4507113 0.87 KHK (0.46) KHKALDH1A1TSHRTP53KDM4E
SCHEMBL13865900 0.86 HPGD (0.42) KHKHPGDALDH1A1HTTTSHR
SCHEMBL13865755 0.85 ALDH1A1 (0.44) KHKHPGDALDH1A1TSHRKDM4E
SCHEMBL4522985 0.85 CYP1A2 (0.50) KHKHPGDALDH1A1HTTTSHR
SCHEMBL4514986 0.85 KHK (0.44) KHKHPGDALDH1A1HTTTSHR
SCHEMBL4502259 0.84 PDE9A (0.47) KHKMAPK1
SCHEMBL4502268 0.84 PDE9A (0.47) KHKMAPK1

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 3420/4885HPGD 132/4885ALDH1A1 240/4885

“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.