SCHEMBL3627488

SCHEMBL3627488

Brc1cnc(NCCN2CCOCC2)nc1.Cc1ncc(N)cc1C#Cc1cnc(NCCN2CCOCC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
CYP1A2 P05177 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
STAT3 P40763 1/20 0.38
JAK3 P52333 1/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3571140 0.95 EGFR (0.43) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL3627509 0.88 EGFR (0.43) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL3632929 0.84 EGFR (0.44) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL3632649 0.82 CYP1A2 (0.45) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL3582836 0.79 P2RX3 (0.42) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL1257037 0.78 KMT2A (0.51) EGFRP2RX3P2RX2MKNK1JAK2
SCHEMBL4618842 0.77 ALDH1A1 (0.46) EGFRCYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL4718778 0.76 EGFR (0.47) EGFRP2RX3P2RX2MKNK1CYP1A2
SCHEMBL5281626 0.75 PIK3CA (0.35)
SCHEMBL3631559 0.73 EGFR (0.40) EGFRP2RX3P2RX2ALDH1A1LMNA

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 4 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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 (2 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 EGFR 662/4885P2RX3 476/4885P2RX2 140/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 EGFR 827/4885P2RX3 274/4885P2RX2 235/4885

“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.