SCHEMBL2598604

SCHEMBL2598604

O=C1Cc2cc(CNc3ccnc(NCc4ccc5[nH]ccc5c4)n3)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.45
▸ PTK2B Q14289 5/20 0.45
▸ BCL6 P41182 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 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
SCHEMBL16494497 1.00 PTK2 (0.45) PTK2PTK2BBCL6MAPK1NMT1
SCHEMBL16494444 0.93 PTK2 (0.46) PTK2PTK2BBCL6MAPK1PAK4
SCHEMBL16495061 0.93 PTK2 (0.46) PTK2PTK2BBCL6MAPK1PAK4
SCHEMBL16495191 0.92 PTK2 (0.40) PTK2PTK2BBCL6MAPK1NMT1
SCHEMBL16494581 0.92 PTK2 (0.40) PTK2PTK2BBCL6MAPK1NMT1
SCHEMBL16494524 0.86 CLK1 (0.48) PTK2PTK2BBCL6MAPK1JAK3
SCHEMBL16494313 0.85 PTK2 (0.40) PTK2PTK2BBCL6MAPK1PAK4
SCHEMBL16494867 0.85 PTK2 (0.40) PTK2PTK2BBCL6MAPK1PAK4
SCHEMBL3392875 0.84 NMT1 (0.44) NMT1PAK4PAK1HDAC1EGFR
SCHEMBL12185447 0.82 PAK1 (0.44) NMT1PAK4PAK1HDAC1EGFR

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 12 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
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-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 — — US disclosed
CN-103003264-B Novel pyrimidine derivatives CHEMILIA AB 2014-08-06 — — CN disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 — — 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
CN-103003264-A Novel pyrimidine derivatives CHEMILIA AB 2013-03-27 — — CN 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
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 PTK2 4517/4885PTK2B 3294/4885BCL6 2259/4885

“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.

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