SCHEMBL14089979

SCHEMBL14089979

COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)Nc4ccc(N5CC6(CN(C)C6)C5)cc4)c(N)n3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
PTPN11 Q06124 1/20 0.41
IKBKB O14920 3/20 0.41
F10 P00742 5/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AURKA O14965 5/20 0.37
LRRK2 Q5S007 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
USP9X Q93008 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
SCHEMBL14089982 0.86 MAPT (0.42) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090054 0.84 AXL (0.44) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090100 0.83 MAPT (0.41) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090004 0.83 IKBKB (0.42) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090052 0.82 POLB (0.45) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL12833882 0.82 MAPT (0.45) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090018 0.82 FYN (0.43) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090108 0.82 IKBKB (0.41) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090111 0.82 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHTTPTPN11
SCHEMBL14090140 0.81 HTR1A (0.40) KDM4EALDH1A1MAPTHTTPTPN11

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 KDM4E 2432/4885ALDH1A1 2293/4885MAPT 3154/4885

“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.