SCHEMBL14089982

SCHEMBL14089982

COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)Nc4ccc(N5CC6(CN(C)C6)C5)cc4)c3N)nc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
IKBKB O14920 3/20 0.41
PTPN11 Q06124 1/20 0.40
F10 P00742 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.37
LRRK2 Q5S007 1/20 0.36
P2RY12 Q9H244 1/20 0.36
NR4A1 P22736 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
SCHEMBL14089979 0.86 KDM4E (0.41) MAPTALDH1A1KDM4EHTTIKBKB
SCHEMBL12834302 0.76 F10 (0.38) MAPTALDH1A1IKBKBF10RAB9A
SCHEMBL14089977 0.71 JAK2 (0.38) MAPTSCN5ASCN9ATDP1LRRK2
SCHEMBL12834300 0.70 ROCK2 (0.41) MAPTIKBKBPTPN11F10RAB9A
SCHEMBL14090054 0.70 AXL (0.44) MAPTALDH1A1KDM4EHTTIKBKB
SCHEMBL14090004 0.69 IKBKB (0.42) MAPTALDH1A1KDM4EHTTIKBKB
SCHEMBL14090100 0.69 MAPT (0.41) MAPTALDH1A1KDM4EHTTIKBKB
SCHEMBL12833882 0.69 MAPT (0.45) MAPTALDH1A1KDM4EHTTIKBKB
SCHEMBL12834303 0.69 POLB (0.38) MAPTKDM4EHTTF10RAB9A
SCHEMBL1509665 0.69 ABCB1 (0.45) SCN5ASCN9A

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 5 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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 MAPT 3154/4885ALDH1A1 2293/4885KDM4E 2432/4885

“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.