SCHEMBL3588002

SCHEMBL3588002

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCc2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NAMPT P43490 5/20 0.50
POLB P06746 1/20 0.49

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 0.90 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1LMNATSHR
SCHEMBL3576758 0.89 KDR (0.52) L3MBTL1SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL3578306 0.85 ROCK2 (0.52) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL3575031 0.83 ROCK2 (0.55) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL3582443 0.81 KDR (0.46) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL3581857 0.80 SMN1; SMN2 (0.42) SMN1; SMN2NPC1TSHRRAB9AKMT2A
SCHEMBL4719226 0.80 KDR (0.58) SMN1; SMN2NPC1LMNATSHRRAB9A
SCHEMBL3585366 0.79 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2NPC1LMNATSHR
SCHEMBL3581177 0.78 ROCK2 (0.41) SMN1; SMN2NPC1LMNARAB9AMEN1
SCHEMBL3582789 0.78 AURKB (0.42) SMN1; SMN2

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.