SCHEMBL13828337

SCHEMBL13828337

CN1CCN(c2nc(F)nc3c2cnn3C)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.66
HRH1 P35367 1/20 0.66
NSD2 O96028 1/20 0.60
PKM P14618 1/20 0.60
HTR2C P28335 4/20 0.50
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.46
ATAD2 Q6PL18 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40

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
SCHEMBL13828373 0.85 MEN1 (0.62) HRH4HRH1NSD2PKMHTR2C
SCHEMBL13828369 0.82 HRH1 (0.66) HRH4HRH1NSD2PKMHTR2C
SCHEMBL13828338 0.82 HRH4 (0.66) HRH4HRH1NSD2PKM
SCHEMBL2192881 0.82 HRH1 (0.66) HRH4HRH1NSD2PKMHTR2C
SCHEMBL19119251 0.76 HRH4 (0.78) HRH4HRH1NSD2PKMHTR2C
SCHEMBL23579885 0.74 HRH4 (0.74) HRH4HRH1NSD2PKMHTR2C
SCHEMBL30033917 0.74 HRH4 (0.74) HRH4HRH1NSD2PKMHTR2C
SCHEMBL130798 0.74 PI4KA (0.53) HRH4HRH1NSD2PKMHTR2C
SCHEMBL13829371 0.72 HTR2A (0.52) HRH4HTR2CMAPTSMN1; SMN2HTR3E
SCHEMBL2193323 0.71 PIK3CA (0.65) HRH4HRH1NSD2PKM

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-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-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 (3 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 HRH4 3856/4885HRH1 3405/4885NSD2 3897/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HRH4 3856/4885HRH1 3405/4885NSD2 3897/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HRH4 3856/4885HRH1 3405/4885NSD2 3897/4885

“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.