SCHEMBL2431601

SCHEMBL2431601

COC(=O)c1ccc2c(ncn2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.42
KDM4E B2RXH2 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
PTGER4 P35408 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IDH1 O75874 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
BRD4 O60885 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 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
SCHEMBL2428088 0.83 EGLN1 (0.43) KDM4EEGLN1KMT2AGAAHPGD
SCHEMBL3072756 0.80 NR4A2 (0.49) NR4A2KDM4EEGLN1KMT2AGAA
SCHEMBL15322423 0.76 PDE4A (0.44) NR4A2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12970566 0.74 CHEK1 (0.44) NR4A2KMT2AMAPTSMN1; SMN2FGFR1
SCHEMBL27185396 0.74 PDE4A (0.40) NR4A2KDM4EEGLN1GAAALDH1A1
SCHEMBL12772411 0.74 CYP3A4 (0.43) KDM4EKMT2AGAAHPGDALDH1A1
SCHEMBL2092773 0.73 ALDH1A1 (0.41) KDM4EEGLN1KMT2AGAAHPGD
SCHEMBL31160139 0.73 PRNP (0.41) KDM4EEGLN1KMT2AGAAHPGD
SCHEMBL3422644 0.72 CA12 (0.54) NR4A2KDM4EGAAHPGDPTGER4
SCHEMBL23800342 0.72 OPRK1 (0.39) NR4A2KDM4EEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 NR4A2 841/4885KDM4E 4402/4885EGLN1 2480/4885

“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.