SCHEMBL10219832

SCHEMBL10219832

COC(=O)Cc1c(Cl)ncnc1NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
RPS6KB1 P23443 2/20 0.47
PDE5A O76074 1/20 0.46
EGFR P00533 11/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
LCK P06239 1/20 0.45
GALR3 O60755 2/20 0.45
NR2F2 P24468 2/20 0.45
RAB9A P51151 1/20 0.45
PPARG P37231 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2064402 0.88 LMNA (0.53) AURKARPS6KB1PDE5AEGFRLMNA
SCHEMBL11104154 0.79 EGFR (0.53) PDE5AEGFRLMNAHTTGALR3
SCHEMBL2062770 0.79 ALDH1A1 (0.42) EGFRLMNAHTTKDM4ERAB9A
SCHEMBL2063881 0.76 CYP1A2 (0.53) LMNATSHRMAPK1CYP1A2CYP3A4
SCHEMBL11110157 0.75 EGFR (0.57) PDE5AEGFRLMNAHTTGALR3
SCHEMBL7509440 0.73 KDM4E (0.42) EGFRLMNAHTTKDM4EHPGD
SCHEMBL13019581 0.73 HSP90AB1 (0.40) EGFRLMNAKDM4EHPGDRAB9A
SCHEMBL783719 0.72 KDM4C (0.72) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8703270 0.72 ALDH1A1 (0.41) EGFRLMNAKDM4ERAB9ATSHR
SCHEMBL30983851 0.72 KDM4C (0.72) EGFRLMNAHTTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148387-B2 AKT and P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-04-03 US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR AURKA 473/4885RPS6KB1 7/4885PDE5A 3163/4885

“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.