SCHEMBL3582836

SCHEMBL3582836

Nc1cncc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
EGFR P00533 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 8/20 0.40
CYP3A4 P08684 8/20 0.40
CYP2D6 P10635 7/20 0.40
LMNA P02545 6/20 0.40
HIF1A Q16665 6/20 0.40
CYP2C19 P33261 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
BACE1 P56817 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL3632929 0.95 EGFR (0.44) P2RX3P2RX2EGFRMEN1KMT2A
SCHEMBL13499918 0.93 EGFR (0.43) EGFRLMNA
SCHEMBL4718778 0.85 EGFR (0.47) P2RX3P2RX2EGFRMEN1KMT2A
SCHEMBL3571140 0.83 EGFR (0.43) P2RX3P2RX2EGFRMEN1KMT2A
SCHEMBL3631559 0.80 EGFR (0.40) P2RX3P2RX2EGFRLMNA
SCHEMBL3632649 0.80 CYP1A2 (0.45) P2RX3P2RX2EGFRMEN1KMT2A
SCHEMBL3582834 0.79 PCSK9 (0.34) P2RX3P2RX2
SCHEMBL4618634 0.79 EGFR (0.49) EGFRKMT2ALMNACYP2C19HSD17B10
SCHEMBL3627488 0.79 EGFR (0.42) P2RX3P2RX2EGFRMEN1KMT2A
SCHEMBL3627509 0.76 EGFR (0.43) P2RX3P2RX2EGFRMEN1KMT2A

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 P2RX3 274/4885P2RX2 235/4885EGFR 827/4885

“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.