SCHEMBL3584955

SCHEMBL3584955

CN(C)CCCNc1ncc(C#Cc2cccc(NC(=O)NCc3ccccc3N3CCOCC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MTOR P42345 3/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
LCK P06239 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
ALK Q9UM73 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL3587191 0.88 CSNK2A1 (0.41) SCN2ASCN10ALCKCCR3ALDH1A1
SCHEMBL3578235 0.83 SCN2A (0.45) SCN2ASCN10AHTTPOLBLCK
SCHEMBL4717895 0.80 MCHR1 (0.46) KDM4ELCKMAPTMEN1ALDH1A1
SCHEMBL3582962 0.79 BTK (0.43) SCN2ASCN10APOLBMAPTCYP3A4
SCHEMBL3577243 0.79 LCK (0.45) LCKMAPTCYP3A4BRD4BRD9
SCHEMBL13500280 0.76 DRD2 (0.47) SCN2ASCN10APOLBLCKMEN1
SCHEMBL4719700 0.76 PTPN11 (0.41) KDM4EPOLBLCKMAPT
SCHEMBL5248425 0.76 FGFR1 (0.47) KDM4E
SCHEMBL3583017 0.76 LCK (0.44) LCKBRD4BRD9CCR3
SCHEMBL3576468 0.75 TEK (0.49) SCN2ASCN10ALCKCYP3A4CYP2C9

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 GAA 1653/4885KDM4E 524/4885SCN2A 4543/4885

“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.