SCHEMBL13829328

SCHEMBL13829328

CNc1nc(N)c2cn[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
RET P07949 1/20 0.48
PI4KA P42356 1/20 0.48
XDH P47989 1/20 0.48
LRRK2 Q5S007 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PDPK1 O15530 2/20 0.44
NOS1 P29475 1/20 0.38
CHEK1 O14757 2/20 0.36
AURKA O14965 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33

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
SCHEMBL13828306 0.79 HTR2C (0.65) HTR2CPDPK1PLK4PAK4CDK2
SCHEMBL1981095 0.77 RET (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL29487078 0.76 XDH (0.55) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1014920 0.76 XDH (0.55) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL19414395 0.75 HTR2C (0.60) HTR2CPDPK1ALDH1A1PLK4PAK4
Benzene SCHEMBL25427466 0.73 RET (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL1597203 0.73 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL560806 0.73 RET (0.52) HTR2CRETPI4KAXDHLRRK2
SCHEMBL95123 0.73 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL95394 0.73 XDH (0.52) RETPI4KAXDHLRRK2PI4K2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-06-01 US disclosed
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-09-19 US disclosed
US-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (8 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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885RET 733/4885PI4KA 82/4885
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases MAP4K2, MAP3K20, MAP3K1 HTR2C 3549/4885RET 500/4885PI4KA 217/4885
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885RET 733/4885PI4KA 82/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885RET 733/4885PI4KA 82/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B HTR2C 1728/4885RET 656/4885PI4KA 107/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885RET 733/4885PI4KA 82/4885
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885RET 733/4885PI4KA 82/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 HTR2C 1279/4885RET 627/4885PI4KA 191/4885

“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.