SCHEMBL2598724

SCHEMBL2598724

Cc1nc(NCc2ccc3[nH]ccc3c2)nc(N)c1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BACE1 P56817 2/20 0.36
HDAC1 Q13547 1/20 0.36
APP P05067 1/20 0.36
CNR2 P34972 1/20 0.35
PRKCQ Q04759 1/20 0.35
PTK6 Q13882 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL2598651 0.83 KLKB1 (0.38) ABL1SRCKDM1AMAOAMAOB
SCHEMBL2598691 0.82 KDM1A (0.42) ABL1SRCKDM1AMAOAMAOB
SCHEMBL2598773 0.81 BACE1 (0.39) NMT1LMNATDP1ABL1SRC
SCHEMBL2598700 0.78 HTR6 (0.46) LMNATDP1CNR2
SCHEMBL16494968 0.78 CYP17A1 (0.39) ABL1SRCKDM1AMAOAMAOB
SCHEMBL16494931 0.78 PTK6 (0.35) MAOAMAOBCNR2PTK6
SCHEMBL16494844 0.78 PTK6 (0.37) PTK6
SCHEMBL2598597 0.78 HTR2A (0.49) LMNATDP1
SCHEMBL4228985 0.78 PLK4 (0.41) APPPIM1
SCHEMBL2598580 0.77 PIK3CA (0.40) PTK6

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
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP claimed
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
EP-2571867-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP 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 NMT1 2524/4885LMNA 1428/4885TDP1 205/4885

“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.