SCHEMBL1887296

SCHEMBL1887296

Cc1ccccc1-c1nc2cc(F)ccc2cc1CO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.44
AR P10275 1/20 0.44
S1PR1 P21453 1/20 0.41
MBNL1 Q9NR56 1/20 0.40
PDK1 Q15118 2/20 0.40
GAA P10253 1/20 0.40
PDE10A Q9Y233 2/20 0.40
PDE2A O00408 1/20 0.40
PIK3CD O00329 1/20 0.39
MAPK14 Q16539 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ADORA2A P29274 1/20 0.38
PIK3CG P48736 1/20 0.37

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
SCHEMBL1882118 0.89 DHODH (0.47) DHODHS1PR1MBNL1GAAPDE10A
SCHEMBL1888145 0.86 AR (0.41) DHODHARMBNL1PDK1GAA
SCHEMBL1888175 0.86 KMT2A (0.43) MBNL1PIK3CDKDM4EALDH1A1ADORA2A
SCHEMBL681072 0.84 PIK3CD (0.50) MBNL1GAAPDE10APIK3CDKDM4E
SCHEMBL1883204 0.76 MBNL1 (0.43) DHODHMBNL1GAAPDE10APDE2A
SCHEMBL10285584 0.75 PIK3CD (0.41) ARMBNL1PDE10APDE2APIK3CD
SCHEMBL1887556 0.74 PIK3CD (0.53) PIK3CD
SCHEMBL4435974 0.74 KDM4E (0.45) DHODHPDE10APDE2APIK3CDKDM4E
SCHEMBL1877264 0.72 KMT2A (0.43) MBNL1GAAPIK3CDKDM4EALDH1A1
SCHEMBL3579340 0.71 ALDH1A1 (0.62) GAAKDM4EALDH1A1

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-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 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-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE DHODH 818/4885AR 4675/4885S1PR1 2707/4885

“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.