SCHEMBL3586017

SCHEMBL3586017

Nc1ncc(C#Cc2nnc(NC(=O)NCc3ccccc3N3CCOCC3)s2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
BRD4 O60885 2/20 0.39
BRD9 Q9H8M2 2/20 0.39
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3R1 P27986 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
SCHEMBL3576886 0.88 SCN2A (0.41) SCN2ASCN10APOLBSMN1; SMN2BRD4
SCHEMBL3578235 0.83 SCN2A (0.45) SCN2ASCN10APOLBCYP1A2CYP3A4
SCHEMBL3575251 0.83 SCN2A (0.49) SCN2ASCN10APOLBBRD4BRD9
SCHEMBL13500281 0.81 HCAR1 (0.47) SCN2ASCN10APOLBSMN1; SMN2BRD4
SCHEMBL3570380 0.80 SCN2A (0.46) SCN2ASCN10APOLBSMN1; SMN2BRD4
SCHEMBL4638791 0.78 SCN2A (0.53) SCN2ASCN10APOLBSMN1; SMN2ALDH1A1
SCHEMBL3575069 0.77 ATG4B (0.48) SCN2ASCN10APOLBSMN1; SMN2BRD4
SCHEMBL4617237 0.77 ALDH1A1 (0.45) SCN2ASCN10ATSHRCYP1A2CYP3A4
SCHEMBL13500262 0.75 SCN2A (0.47) SCN2ASCN10APOLBCYP3A4CYP2C9
SCHEMBL3580192 0.75 LCK (0.43) POLBSMN1; SMN2CYP3A4CYP2C9NAMPT

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 SCN2A 4543/4885SCN10A 4171/4885POLB 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.