SCHEMBL3576332

SCHEMBL3576332

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCC2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.46
EPHX1 P07099 1/20 0.43
CNR2 P34972 1/20 0.43
MAP4K4 O95819 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
SCHEMBL3585247 0.93 POLB (0.53) EPHX2POLBEPHX1MAP4K4
SCHEMBL3584195 0.88 CNR2 (0.49) EPHX2CYP3A4POLBCNR2
SCHEMBL3584734 0.85 ROCK2 (0.53) MAP4K4
SCHEMBL3585547 0.84 BTK (0.49) MAP4K4
SCHEMBL3573312 0.81 EPHX2 (0.53) EPHX2MAP4K4
SCHEMBL3580063 0.80 SMN1; SMN2 (0.51) EPHX2
SCHEMBL4719226 0.79 KDR (0.58) EPHX2EPHX1MAP4K4
SCHEMBL3576758 0.78 KDR (0.52)
SCHEMBL3582962 0.78 BTK (0.43) EPHX2CYP3A4POLBMAP4K4
SCHEMBL3582789 0.77 AURKB (0.42) MAP4K4

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 EPHX2 1948/4885CYP3A4 3991/4885POLB 210/4885

“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.