SCHEMBL3983945

SCHEMBL3983945

Cc1noc(C)c1Oc1ncnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
EGFR P00533 2/20 0.45
TSHR P16473 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP3A4 P08684 2/20 0.39
USP2 O75604 1/20 0.39
PTGS2 P35354 1/20 0.39
KDR P35968 1/20 0.39
HIF1A Q16665 2/20 0.38

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
SCHEMBL3635988 0.76 EGFR (0.62) LMNASMN1; SMN2EGFRTSHRRAB9A
SCHEMBL4081930 0.75 ALDH1A1 (0.57) LMNASMN1; SMN2TSHRRAB9ANPC1
SCHEMBL1098713 0.72 EGFR (0.55) LMNASMN1; SMN2EGFRTSHRRAB9A
SCHEMBL4364907 0.72 CYP1A2 (0.59) LMNASMN1; SMN2EGFRTSHRRAB9A
SCHEMBL3977060 0.71 EGFR (0.57) LMNASMN1; SMN2EGFRTSHRRAB9A
SCHEMBL637552 0.70 PI4KA (0.56) LMNASMN1; SMN2EGFRRAB9ANPC1
SCHEMBL3979754 0.70 EGFR (0.69) LMNAEGFRTSHRRAB9ANPC1
SCHEMBL7053228 0.69 RAB9A (0.56) LMNASMN1; SMN2EGFRTSHRRAB9A
SCHEMBL30117773 0.69 RAB9A (0.56) LMNASMN1; SMN2EGFRTSHRRAB9A
Ethane SCHEMBL27889933 0.69 PI4KA (0.54) LMNASMN1; SMN2EGFRRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 LMNA 1994/4885SMN1; SMN2 3057/4885EGFR 456/4885

“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.