SCHEMBL3574725

SCHEMBL3574725

O=C(Nc1cncc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1)Oc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
AURKB Q96GD4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CNR1 P21554 1/20 0.42
EGFR P00533 1/20 0.41
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13499919 0.95 EPHX2 (0.48) EPHX2AURKBSMN1; SMN2LIPELMNA
SCHEMBL3583337 0.85 LIPE (0.39) EPHX2SMN1; SMN2LIPEALDH1A1LMNA
SCHEMBL13500277 0.83 EPHX2 (0.48) EPHX2AURKBSMN1; SMN2CNR1LIPE
SCHEMBL3575970 0.79 AURKA (0.46) EPHX2AURKBSMN1; SMN2CNR1ALDH1A1
SCHEMBL3585208 0.79 LCK (0.43) EPHX2EGFRALDH1A1LMNAKDM4E
SCHEMBL5276497 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CNR1EGFRALDH1A1LMNA
SCHEMBL3579024 0.77 LCK (0.48) EPHX2KDM4EMEN1CYP1A2CYP3A4
SCHEMBL3575312 0.73 NAMPT (0.39) EPHX2SMN1; SMN2CNR1EGFRLMNA
SCHEMBL3582836 0.73 P2RX3 (0.42) EGFRLMNAMEN1CYP1A2CYP3A4
SCHEMBL3580884 0.71 MCHR1 (0.45) EPHX2AURKBSMN1; SMN2ALDH1A1LMNA

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 1948/4885AURKB 147/4885SMN1; SMN2 3824/4885

“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.