SCHEMBL4595119

SCHEMBL4595119

CN(C)CCNc1ccn2nc(-c3cc4ccccc4o3)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.56
PIM1 P11309 2/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
STAT1 P42224 1/20 0.40
MC4R P32245 1/20 0.39
F2RL3 Q96RI0 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RET P07949 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL4336105 0.79 MKNK1 (0.56) MKNK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4691380 0.79 MKNK1 (0.64) MKNK1F2RL3
SCHEMBL4338921 0.79 CSNK2A1 (0.45) NPC1RAB9AMAPTF2RL3KDM4E
SCHEMBL4326841 0.78 PIM1 (0.67) MKNK1PIM1RET
SCHEMBL4326209 0.75 RET (0.47) MKNK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2948003 0.73 MKNK1 (0.55) MKNK1PIM1F2RL3KDM4EALDH1A1
SCHEMBL4333674 0.73 BRAF (0.44) F2RL3KDM4E
SCHEMBL2948001 0.72 MKNK1 (1.00) MKNK1
SCHEMBL4559505 0.71 KCNN3 (0.39) F2RL3KDM4EALDH1A1
SCHEMBL4342462 0.70 CSNK2A1 (0.38) NPC1RAB9AMAPTF2RL3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP 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 (1 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK MKNK1 2469/4885PIM1 400/4885NPC1 3290/4885

“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.