SCHEMBL3550660

SCHEMBL3550660

Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PIK3R1 P27986 7/20 0.39
PIK3CA P42336 7/20 0.39
ACVR1 Q04771 9/20 0.37
BMPR1A P36894 8/20 0.37
ACVRL1 P37023 8/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL3544001 0.85 KDM4E (0.37) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL30135929 0.84 KDM4E (0.36) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL1203575 0.84 KDM4E (0.36) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL16473281 0.84 TTK (0.37) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL3666481 0.81 KDM4E (0.36) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL17706073 0.77 MTOR (0.36) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL1203446 0.76 GSK3A (0.45) PIK3CA
SCHEMBL3539781 0.74 PLK1 (0.52) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL15498579 0.74 GSK3B (0.59)
SCHEMBL13881269 0.74 OPRM1 (0.40) KDM4EALDH1A1LMNAGAAHPGD

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 KDM4E 3977/4885ALDH1A1 422/4885LMNA 1996/4885

“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.