SCHEMBL3575775

SCHEMBL3575775

CN(C)CCCNc1ncc(C#Cc2cccc(NC(=O)Oc3ccccc3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
FAAH O00519 6/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
PTPN11 Q06124 1/20 0.38
RAD52 P43351 1/20 0.38
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL4717895 0.88 MCHR1 (0.46) MCHR1KDM4EALDH1A1MAPTMEN1
SCHEMBL4719700 0.87 PTPN11 (0.41) MCHR1KDM4EMAPTPOLBPTPN11
SCHEMBL5248425 0.83 FGFR1 (0.47) MCHR1KDM4EPTPN11RAD52
SCHEMBL4719763 0.78 ALDH1A1 (0.50) CYP1A2KDM4EALDH1A1MAPTMEN1
SCHEMBL13499903 0.78 LCK (0.52) CYP1A2BCHEACHEFAAHKDM4E
SCHEMBL4715279 0.76 MEN1 (0.50) MEN1KMT2ANPC1
SCHEMBL3572561 0.74 EGFR (0.38)
SCHEMBL4718430 0.74 LCK (0.41) MEN1KMT2ANPC1
SCHEMBL4717345 0.74 MEN1 (0.49) MEN1KMT2ANPC1
SCHEMBL3584955 0.73 GAA (0.41) KDM4EALDH1A1MAPTMEN1KMT2A

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 7 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-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (2 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 CYP1A2 2490/4885BCHE 4119/4885ACHE 4048/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 CYP1A2 4044/4885BCHE 3804/4885ACHE 3320/4885

“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.