SCHEMBL14090100

SCHEMBL14090100

COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)Nc4ccc(OCCCN5CCN(C)CC5)cc4)c(N)n3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 2/20 0.41
KDR P35968 2/20 0.41
AXL P30530 1/20 0.41
IKBKB O14920 2/20 0.41
PTPN11 Q06124 1/20 0.40
MCHR1 Q99705 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
DRD2 P14416 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14090054 0.96 AXL (0.44) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090086 0.93 MET (0.47) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090108 0.93 IKBKB (0.41) MAPTKDM4EALDH1A1HTTEGFR
SCHEMBL14090004 0.92 IKBKB (0.42) MAPTKDM4EALDH1A1HTTIKBKB
SCHEMBL14090087 0.90 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090162 0.89 IKBKB (0.40) MAPTKDM4EALDH1A1HTTAXL
SCHEMBL14090019 0.89 MAPT (0.42) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090027 0.88 MAPT (0.44) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090120 0.88 GAA (0.42) MAPTKDM4EALDH1A1HTTKDR
SCHEMBL14090018 0.88 FYN (0.43) MAPTKDM4EALDH1A1HTTKDR

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 MAPT 3154/4885KDM4E 2432/4885ALDH1A1 2293/4885

“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.