SCHEMBL3585366

SCHEMBL3585366

Nc1ncc(C#Cc2cccc(NC(=O)NCCc3cccnc3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.47
PRMT3 O60678 1/20 0.47
ROCK2 O75116 1/20 0.46
NAMPT P43490 2/20 0.46
LCK P06239 1/20 0.46
TEK Q02763 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL3572556 0.89 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1LMNATSHR
SCHEMBL3579039 0.82 LCK (0.47) L3MBTL1SMN1; SMN2NPC1LMNANAMPT
SCHEMBL5280527 0.81 KMT2A (0.47) SMN1; SMN2NPC1LMNAROCK2LCK
SCHEMBL3588002 0.79 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2NPC1LMNATSHR
SCHEMBL3585889 0.78 LCK (0.46) SMN1; SMN2NPC1LMNATSHRLCK
SCHEMBL31037325 0.77 ROCK2 (0.46) L3MBTL1SMN1; SMN2NPC1LMNATSHR
SCHEMBL5280519 0.77 LCK (0.45) SMN1; SMN2LMNAROCK2LCKTEK
SCHEMBL3585337 0.77 MEN1 (0.55) PRMT3LCKTEKMEN1KMT2A
SCHEMBL4720860 0.77 KDR (0.57) SMN1; SMN2NPC1LMNATSHRLCK
SCHEMBL3461023 0.76 NAMPT (0.61) L3MBTL1SMN1; SMN2NPC1PRMT3ROCK2

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 L3MBTL1 3183/4885SMN1; SMN2 3824/4885NPC1 4705/4885

“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.