SCHEMBL3583337

SCHEMBL3583337

CC(CNc1ncc(C#Cc2cncc(NC(=O)Oc3ccc(Cl)cc3)c2)cn1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 4/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.36
EPHX2 P34913 2/20 0.36
MCHR1 Q99705 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3574725 0.85 EPHX2 (0.45) LIPELMNAEPHX2MCHR1SMN1; SMN2
SCHEMBL13499919 0.83 EPHX2 (0.48) LIPELMNAMAPTEPHX2SMN1; SMN2
SCHEMBL3582834 0.75 PCSK9 (0.34)
SCHEMBL13500277 0.71 EPHX2 (0.48) LIPEMAPTEPHX2SMN1; SMN2
SCHEMBL5332259 0.68 BRAF (0.46) RAB9A
SCHEMBL3585208 0.66 LCK (0.43) TP53LMNAMAPTEPHX2GAA
SCHEMBL3575970 0.65 AURKA (0.46) THRBLMNAEPHX2GAAMAPK1
SCHEMBL3631559 0.65 EGFR (0.40) LMNAMAPTMAPK1ALDH1A1HTT
SCHEMBL13499910 0.65 MAPT (0.42) THRBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5276497 0.65 SMN1; SMN2 (0.48) LMNAMAPTSMN1; SMN2ALDH1A1

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 3 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
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 LIPE 4622/4885PTGDR2 2826/4885TP53 3835/4885

“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.