SCHEMBL12185366

SCHEMBL12185366

c1cc(NCc2ccc3[nH]cnc3c2)nc(NCc2ccc3[nH]ccc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.43
PAK4 O96013 2/20 0.43
NMT1 P30419 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.37
EGFR P00533 1/20 0.37
CLK1 P49759 3/20 0.36
CLK2 P49760 3/20 0.36
DYRK1A Q13627 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
CLK3 P49761 1/20 0.36
PRKCQ Q04759 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL12185784 1.00 PAK1 (0.43) PAK1PAK4NMT1ABL1SRC
SCHEMBL3392875 0.91 NMT1 (0.44) PAK1PAK4NMT1ABL1SRC
SCHEMBL12185491 0.89 EGFR (0.47) PAK1PAK4ABL1SRCHDAC1
SCHEMBL12185447 0.86 PAK1 (0.44) PAK1PAK4NMT1ABL1SRC
SCHEMBL12185464 0.86 PAK1 (0.44) PAK1PAK4NMT1ABL1SRC
SCHEMBL16494864 0.84 MAPT (0.43) LMNATDP1
SCHEMBL16494682 0.84 MAPT (0.43) LMNATDP1
SCHEMBL12185305 0.82 CLK1 (0.55) PAK1PAK4NMT1CLK1CLK2
SCHEMBL12185465 0.81 EPHB4 (0.46) PAK1PAK4EGFRCLK4
SCHEMBL12185449 0.81 EGFR (0.54) NMT1ABL1SRCHDAC1EGFR

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
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP PAK1 2538/4885PAK4 2611/4885NMT1 2524/4885

“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.