SCHEMBL3582225

SCHEMBL3582225

Nc1ncc(C#Cc2cccc(NC(=O)NCCN3CCOCC3)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
EPHX2 P34913 7/20 0.52
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CNR1 P21554 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
CCR3 P51677 1/20 0.47
PDPK1 O15530 2/20 0.46
DYRK1A Q13627 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL3585337 0.91 MEN1 (0.55) EGFREPHX2CNR1CCR3PKM
SCHEMBL3575909 0.89 CCR3 (0.48) EGFRCCR3PKMMAPT
SCHEMBL3573312 0.89 EPHX2 (0.53) EGFREPHX2AURKARPS6KB1CNR1
SCHEMBL3587886 0.85 MAPT (0.51) CCR3MAPT
SCHEMBL3580063 0.83 SMN1; SMN2 (0.51) EGFREPHX2AURKARPS6KB1SMN1; SMN2
SCHEMBL3578235 0.81 SCN2A (0.45) CCR3MAPT
SCHEMBL3584195 0.80 CNR2 (0.49) EPHX2
SCHEMBL14574176 0.80 EPHX2 (0.64) EGFREPHX2AURKARPS6KB1CNR1
SCHEMBL3579321 0.80 MEN1 (0.53) EGFREPHX2CNR1CCR3PKM
SCHEMBL3589523 0.79 LCK (0.40) LMNA

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 EGFR 827/4885EPHX2 1948/4885AURKA 164/4885

“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.