SCHEMBL14090004

SCHEMBL14090004

COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)c(N)n3)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 11/20 0.40
ABCB1 P08183 10/20 0.40
FLT3 P36888 3/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
PTPN11 Q06124 1/20 0.40
CSF1R P07333 2/20 0.39
INSR P06213 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 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
SCHEMBL14090162 0.97 IKBKB (0.40) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090108 0.96 IKBKB (0.41) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090038 0.94 CSF1R (0.38) IKBKBABCG2ABCB1FLT3TYRO3
SCHEMBL14090024 0.94 ABCG2 (0.40) IKBKBABCG2ABCB1FLT3TYRO3
SCHEMBL14090149 0.94 IKBKB (0.40) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090165 0.94 IKBKB (0.41) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090011 0.94 IKBKE (0.43) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090047 0.94 CSF1R (0.40) IKBKBABCG2ABCB1FLT3TYRO3
SCHEMBL14090127 0.93 PTPN11 (0.41) IKBKBKDM4EALDH1A1MAPTHTT
SCHEMBL14090133 0.93 IKBKB (0.40) IKBKBKDM4EALDH1A1MAPTHTT

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 IKBKB 94/4885KDM4E 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.