SCHEMBL9181933

SCHEMBL9181933

CCCCNc1cc(Cl)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 2/20 0.54
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
TLR8 Q9NR97 2/20 0.42
CNR2 P34972 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HCAR3 P49019 1/20 0.40
FLT3 P36888 3/20 0.39

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
SCHEMBL5665700 0.95 DNM2 (0.60) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL28158644 0.89 DNM2 (0.45) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL15923413 0.85 DNM2 (0.55) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL15923128 0.85 DNM2 (0.55) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL20081779 0.84 HRH3 (0.44) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL29526065 0.82 SMN1; SMN2 (0.47) DNM2CLK4HRH4NPC1MEN1
SCHEMBL17728852 0.81 DNM2 (0.57) DNM2HRH4NPC1KDM4EEGFR
SCHEMBL374260 0.81 EGFR (0.53) DNM2MAP4K4CLK4NPC1MEN1
SCHEMBL24846616 0.80 DNM2 (0.59) DNM2CDC7ROCK2MAP4K4PIM1
SCHEMBL12228158 0.80 TLR8 (0.56) DNM2CDC7ROCK2MAP4K4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO disclosed
EP-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 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-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 DNM2 2064/4885CDC7 2378/4885ROCK2 2933/4885

“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.