SCHEMBL13828331

SCHEMBL13828331

Cn1cnc2c(N3CCOCC3)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PIK3CA P42336 1/20 0.55
PDE10A Q9Y233 5/20 0.54
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
CHEK1 O14757 1/20 0.48
PDPK1 O15530 1/20 0.48
MAPK1 P28482 1/20 0.48
PAK1 Q13153 1/20 0.48

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
SCHEMBL13828340 0.83 HRH4 (0.58) TLR7GAAADORA2AADORA1NPC1
SCHEMBL7291502 0.81 HTR2C (0.68) TLR7ADORA2AADORA1YTHDC1HTR2C
SCHEMBL31339124 0.80 TLR7 (0.71) TLR7MEN1KMT2APDE10AADORA2A
Hydrochloric Acid SCHEMBL7318062 0.79 HTR2C (0.66) TLR7ADORA2AADORA1YTHDC1HTR2C
SCHEMBL24955551 0.79 PIK3CA (0.60) TLR7MEN1KMT2APIK3CAPDE10A
SCHEMBL30366120 0.79 PIK3CA (0.60) TLR7PIK3CAPDE10AADORA1HSD17B10
SCHEMBL13828313 0.79 PIK3CA (0.60) TLR7MEN1KMT2APIK3CAPDE10A
SCHEMBL358366 0.79 PIK3CA (0.60) TLR7PIK3CAPDE10AADORA1HSD17B10
SCHEMBL13828332 0.79 PIK3CA (0.71) TLR7PIK3CAADORA1TLR9
SCHEMBL13828322 0.79 PIK3CA (0.60) TLR7MEN1KMT2APIK3CAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (5 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-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB TLR7 3946/4885MEN1 4440/4885KMT2A 3362/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB TLR7 3946/4885MEN1 4440/4885KMT2A 3362/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B TLR7 3194/4885MEN1 4171/4885KMT2A 3204/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB TLR7 3946/4885MEN1 4440/4885KMT2A 3362/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 TLR7 3714/4885MEN1 2964/4885KMT2A 3881/4885

“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.