SCHEMBL4487254

SCHEMBL4487254

Cc1ccc(-c2cc(=O)n3c(n2)NCCC3)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
TGFBR1 P36897 1/20 0.40
HPGD P15428 2/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTR7 P34969 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL6493490 0.81 ALDH1A1 (0.55) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL3998985 0.81 CDC7 (0.46) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL20304594 0.78 KDM4E (0.38) KDM4EALDH1A1POLBTGFBR1HPGD
SCHEMBL2931108 0.74 KDM4E (0.49) KDM4EALDH1A1POLBTGFBR1HPGD
SCHEMBL3041953 0.74 KDM4E (0.49) KDM4EALDH1A1POLBTGFBR1HPGD
SCHEMBL3568709 0.73 GSK3B (0.48) KDM4EALDH1A1POLBGSK3B
SCHEMBL4000370 0.72 CDC7 (0.51) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL13934583 0.69 MAP4K1 (0.32) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL9955876 0.68 ALDH1A1 (0.44) KDM4EALDH1A1POLBHPGDMAPK10
SCHEMBL3325823 0.65 KDM4E (0.47) KDM4EALDH1A1POLBTGFBR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT KDM4E 3977/4885ALDH1A1 2475/4885POLB 2525/4885

“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.