SCHEMBL13828305

SCHEMBL13828305

CNc1nc(F)nc2c1cnn2C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.66
HTR2C P28335 6/20 0.54
BCDIN3D Q7Z5W3 6/20 0.48
SHMT2 P34897 1/20 0.44
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR1 O43613 1/20 0.41
GAA P10253 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
SCHEMBL13828357 0.79 PDE2A (0.66) PDE2AHTR2CBCDIN3DSHMT2KMT2A
SCHEMBL29487109 0.79 PDE2A (0.66) PDE2AHTR2CBCDIN3DSHMT2KMT2A
SCHEMBL13828311 0.79 PDE2A (1.00) PDE2AHTR2CBCDIN3DKMT2AKDM4E
SCHEMBL17450152 0.75 HTT (0.64) PDE2AHTR2CBCDIN3D
SCHEMBL130798 0.75 PI4KA (0.53) PDE2AHTR2CBCDIN3DKMT2AKDM4E
SCHEMBL13828410 0.72 HTR2C (0.46) PDE2AHTR2CBCDIN3DKMT2AMEN1
SCHEMBL29854071 0.71 KDM4E (0.68) PDE2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL13828337 0.68 HRH4 (0.66) HTR2CBCDIN3DKMT2AMEN1MAPT
SCHEMBL17792782 0.68 SHMT2 (0.69) PDE2ABCDIN3DSHMT2KMT2AMEN1
SCHEMBL14898534 0.67 ALDH1A1 (0.49) PDE2AALDH1A1

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 6 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-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 PDE2A 803/4885HTR2C 3685/4885BCDIN3D 2819/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PDE2A 803/4885HTR2C 3685/4885BCDIN3D 2819/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PDE2A 803/4885HTR2C 3685/4885BCDIN3D 2819/4885

“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.