SCHEMBL404362

SCHEMBL404362

Cc1ncnc2c1CN(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
GRM5 P41594 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
CHRM3 P20309 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL15290670 0.85 CYP2C19 (0.35) CYP2C19ALDH1A1HPGDKDM4ELMNA
SCHEMBL15958444 0.84 PIK3CA (0.31)
SCHEMBL10280055 0.80 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDKDM4EMEN1
SCHEMBL5859424 0.80 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDKDM4EMEN1
SCHEMBL9923771 0.76 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL17804469 0.75 NOTUM (0.41) MAPTLMNAGRM5
SCHEMBL403401 0.73 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDKDM4EMEN1
SCHEMBL22727894 0.72 CYP2C19 (0.51) CYP2C19ALDH1A1HPGDKDM4EMEN1
SCHEMBL14028384 0.71 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL12973540 0.71 P2RX3 (0.63) P2RX3

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-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-09-21 US disclosed
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-01-26 US disclosed
US-9499536-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2016-11-22 US disclosed
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2014-05-08 US disclosed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US disclosed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 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 (4 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-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS CYP2C19 338/4885ALDH1A1 1379/4885HPGD 392/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS CYP2C19 338/4885ALDH1A1 1379/4885HPGD 392/4885
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS CYP2C19 338/4885ALDH1A1 1379/4885HPGD 392/4885
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS CYP2C19 338/4885ALDH1A1 1379/4885HPGD 392/4885

“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.