SCHEMBL12185751

SCHEMBL12185751

c1cc(Nc2nccc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.48
PRKCQ Q04759 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
BACE1 P56817 1/20 0.39
EGFR P00533 3/20 0.39
PIM1 P11309 2/20 0.38
CDC7 O00311 1/20 0.38
MAP4K4 O95819 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
KDR P35968 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NMT1 P30419 1/20 0.37
PAK4 O96013 1/20 0.37
PAK1 Q13153 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL12185476 0.93 EPHB4 (0.52) EPHB4PRKCQJAK2JAK3BACE1
SCHEMBL12185430 0.92 EPHB4 (0.51) EPHB4JAK2JAK3BACE1EGFR
SCHEMBL12185509 0.89 EPHB4 (0.55) EPHB4PRKCQCLK4KDRFLT1
SCHEMBL12185325 0.89 EPHB4 (0.48) EPHB4JAK2JAK3EGFRPIM1
SCHEMBL12185302 0.88 EPHB4 (0.45) EPHB4JAK2JAK3EGFRPLK2
SCHEMBL12185465 0.88 EPHB4 (0.46) EPHB4JAK2JAK3BACE1EGFR
SCHEMBL12185481 0.86 PRKCQ (0.40) EPHB4PRKCQBACE1PIM1CCNT1
SCHEMBL16494416 0.86 PRKCQ (0.42) EPHB4PRKCQBACE1EGFRPIM1
SCHEMBL12185483 0.86 EGFR (0.41) EPHB4PRKCQJAK2BACE1EGFR
SCHEMBL16494314 0.85 GSK3B (0.42) EPHB4PRKCQJAK2JAK3EGFR

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 5 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
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 EPHB4 1036/4885PRKCQ 3076/4885JAK2 1442/4885

“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.