SCHEMBL4228985

SCHEMBL4228985

Cc1nc(NCc2ccc(F)c(F)c2)nc(N)c1Cc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
NTRK1 P04629 1/20 0.41
GPR68 Q15743 1/20 0.41
CHRM4 P08173 2/20 0.39
APP P05067 3/20 0.39
MPO P05164 1/20 0.39
PIM1 P11309 1/20 0.38
PDE2A O00408 1/20 0.38
KLKB1 P03952 1/20 0.37
ALPL P05186 1/20 0.37
ALPG P10696 1/20 0.37
PLAA Q9Y263 1/20 0.37

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
SCHEMBL14520696 0.69 SLC2A1 (0.45) PLK4NTRK1GPR68APP
SCHEMBL20511162 0.69 CA12 (0.50) PLK4NTRK1GPR68PIM1
SCHEMBL17742091 0.69 MAOA (0.47) PLK4NTRK1GPR68MPOPIM1
SCHEMBL4218510 0.69 CYP2D6 (0.43) MPO
SCHEMBL14818977 0.69 MEN1 (0.58) PLK4NTRK1GPR68PIM1PDE2A
SCHEMBL21246205 0.67 MBOAT4 (0.60)
SCHEMBL1775955 0.66 HRH4 (0.52)
SCHEMBL853346 0.66 TLR7 (0.47)
SCHEMBL1585868 0.66 KDM1A (0.44) PIM1
SCHEMBL30724671 0.66 MEN1 (0.47) PIM1

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-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-05-14 US claimed
EP-1940804-A2 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NeuroSearch A/S (DK) 2008-07-09 EP claimed
WO-2007042571-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-19 WO claimed
US-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-05-14 US disclosed
EP-1940804-A2 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NeuroSearch A/S (DK) 2008-07-09 EP disclosed
WO-2007042571-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-19 WO 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-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN1, KCNN3 PLK4 1912/4885NTRK1 2677/4885GPR68 2155/4885

“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.