SCHEMBL3515911

SCHEMBL3515911

COC(=O)Cc1cc[c]cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
MAPK8 P45983 4/20 0.35
HSP90AB1 P08238 1/20 0.34
GLA P06280 2/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL27794384 0.81 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL15009017 0.76 BCAT2 (0.33) ALDH1A1GAAKDM4EHPGDPARP1
SCHEMBL3513032 0.76 MEN1 (0.44) ALDH1A1KDM4EPARP1
SCHEMBL27827564 0.76 EGFR (0.44) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL2444042 0.74 ALDH1A1 (0.41) CYP4F2CYP4A11ALDH1A1KDM4EHPGD
SCHEMBL2551636 0.71 PARP10 (0.41) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL28003447 0.71 LOXL2 (0.42) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL11004280 0.70 SIRT3 (0.47) ALDH1A1KDM4EHPGDPARP1
SCHEMBL1987049 0.70 KDM4E (0.42) ALDH1A1KDM4EHPGDMAPK8GLA
SCHEMBL12970754 0.69 ALDH1A1 (0.38) ALDH1A1GAAKDM4EHPGDCA1

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A CYP4F2 1031/4885CYP4A11 1776/4885ALDH1A1 1196/4885

“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.