SCHEMBL14089977

SCHEMBL14089977

CN1CC2(C1)CN(c1ccc(NC(=O)c3cnn(-c4nccc(-c5ccc(N(C)C)cc5)n4)c3N)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.38
LRRK2 Q5S007 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 1/20 0.36
LOX P28300 1/20 0.36
PTGS2 P35354 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 5/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
NR3C1 P04150 1/20 0.35
JAK3 P52333 4/20 0.35
DGAT1 O75907 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL14091175 0.90 JAK2 (0.49) JAK2JAK3DGAT1MAPTHDAC1
SCHEMBL14089976 0.85 JAK2 (0.38) JAK2LRRK2CA2CA9CYP3A4
SCHEMBL14091172 0.81 FLT3 (0.39) JAK2CA12CA1CA2CA9
SCHEMBL14091174 0.80 ATR (0.48) JAK2CYP3A4MAPTTDP1
SCHEMBL12834295 0.76 ADK (0.41) CA12CA1CA2PTGS1LOX
SCHEMBL12834292 0.75 CNR1 (0.44) LRRK2CYP3A4MAPTTDP1
SCHEMBL12834293 0.75 DGAT1 (0.34) LRRK2CA12CA1CA2PTGS1
SCHEMBL12834310 0.73 LRRK2 (0.38) LRRK2CYP3A4NR3C1MAPTTDP1
SCHEMBL14089981 0.73 ABCB1 (0.35) CA2CA9CYP3A4NR3C1MAPT
SCHEMBL14091169 0.73 EGFR (0.44) CA12CA1CA2CA9CYP3A4

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 JAK2 4/4885LRRK2 1569/4885CA12 1916/4885

“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.