SCHEMBL5090085

SCHEMBL5090085

O=C(O)c1cc(Br)c2cnccc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 7/20 0.40
CSNK2B P67870 7/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCL1 Q07820 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
CSNK2A1 P68400 2/20 0.36
GRM2 Q14416 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL18320554 0.81 KDM4E (0.44) CSNK2A2CSNK2BDHODHKDM4EALOX15
SCHEMBL5101784 0.80 GPR35 (0.49) CSNK2A2CSNK2BDHODHKDM4EALOX15
SCHEMBL5101954 0.80 ALDH1A1 (0.46) CSNK2A2CSNK2BDHODHKDM4EALOX15
SCHEMBL837668 0.77 ALOX15 (0.58) DHODHKDM4EALOX15ALDH1A1SMN1; SMN2
SCHEMBL10725104 0.77 AXL (0.40) CSNK2A2CSNK2BDHODHKDM4E
SCHEMBL5102002 0.76 ALOX15 (0.66) CSNK2A2CSNK2BDHODHKDM4EALOX15
SCHEMBL27716049 0.75 ESR1 (0.57) KDM4EALOX15ALDH1A1SMN1; SMN2MCL1
SCHEMBL24759619 0.73 DHODH (0.42) CSNK2A2CSNK2BDHODHKDM4EALOX15
SCHEMBL1016413 0.72 MGAM (0.58) KDM4EALOX15ALDH1A1SMN1; SMN2NAPRT
SCHEMBL18320800 0.71 KDM4E (0.47) CSNK2A2CSNK2BDHODHKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 CSNK2A2 1534/4885CSNK2B 1805/4885DHODH 1456/4885

“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.