SCHEMBL3579321

SCHEMBL3579321

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCCN2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
EGFR P00533 3/20 0.50
LIMK1 P53667 1/20 0.49
CCR3 P51677 1/20 0.48
CNR1 P21554 1/20 0.47
MAP4K4 O95819 3/20 0.46
EPHX2 P34913 1/20 0.46
PRMT3 O60678 1/20 0.46
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.44
ATR Q13535 1/20 0.43

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
SCHEMBL3580051 0.99 MEN1 (0.55) MEN1POLBKMT2AEGFRLIMK1
SCHEMBL3584139 0.94 CCR3 (0.49) MEN1POLBKMT2ACCR3MAPT
SCHEMBL3573312 0.92 EPHX2 (0.53) EGFRLIMK1CCR3CNR1MAP4K4
SCHEMBL3585337 0.88 MEN1 (0.55) MEN1POLBKMT2AEGFRLIMK1
SCHEMBL3580063 0.86 SMN1; SMN2 (0.51) EGFRCCR3EPHX2PRMT3MAPT
SCHEMBL3580616 0.83 KMT2A (0.54) MEN1KMT2AMAP4K4
SCHEMBL3587886 0.82 MAPT (0.51) MEN1POLBKMT2ACCR3MAPT
SCHEMBL3582543 0.81 AURKA (0.44) POLBLIMK1
SCHEMBL3575909 0.80 CCR3 (0.48) MEN1POLBKMT2AEGFRLIMK1
SCHEMBL3585247 0.80 POLB (0.53) POLBMAP4K4EPHX2

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
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 MEN1 2463/4885POLB 210/4885KMT2A 815/4885

“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.