SCHEMBL14825739

SCHEMBL14825739

Cc1ccc2nc(-c3c(C(C)C)cccc3C(C)C)n3c4ccccc4nc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 4/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CAMKK1 Q8N5S9 2/20 0.37
▸ CAMKK2 Q96RR4 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37

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
SCHEMBL12070668 0.89 KDM4E (0.61) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12072919 0.83 KDM4E (0.52) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12070667 0.81 KDM4E (0.57) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12072882 0.77 HPGD (0.67) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL10513726 0.76 KDM4E (0.54) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12072917 0.74 ALDH1A1 (0.55) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL18659159 0.73 ALDH1A1 (0.78) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12072883 0.73 KDM4E (0.64) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL10061999 0.72 KDM4E (0.68) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL12072906 0.72 HPGD (0.62) KDM4EHPGDALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 — — US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 — — US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 — — US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 — — 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-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885HPGD 3092/4885ALDH1A1 2790/4885

“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.

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